N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine

C228H171N3O7 — CID 160951228

IUPACN-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4c(oc6ccccc64)c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C
InChIInChI=1S/C78H57NO3.C78H59NO2.C72H55NO2/c1-75(2)59-34-32-53-50-17-10-13-22-68(50)81-73(53)70(59)57-40-63-55(38-65(57)75)47-30-28-44(36-61(47)77(63,5)6)79(43-26-24-42(25-27-43)46-19-15-20-52-49-16-9-12-21-67(49)80-72(46)52)45-29-31-48-56-39-66-58(41-64(56)78(7,8)62(48)37-45)71-60(76(66,3)4)35-33-54-51-18-11-14-23-69(51)82-74(54)71;1-75(2)59-34-36-70-73(53-24-16-18-26-69(53)80-70)71(59)57-42-63-55(40-65(57)75)49-30-28-47(38-61(49)77(63,5)6)79(67-35-27-46(44-19-11-9-12-20-44)37-54(67)45-21-13-10-14-22-45)48-29-31-50-56-41-66-58(43-64(56)78(7,8)62(50)39-48)72-60(76(66,3)4)33-32-52-51-23-15-17-25-68(51)81-74(52)72;1-69(2)54-31-32-64-67(49-22-13-15-24-63(49)74-64)65(54)52-38-58-50(36-60(52)69)45-27-25-43(34-56(45)71(58,5)6)73(42-20-16-19-41(33-42)40-17-10-9-11-18-40)44-26-28-46-51-37-61-53(39-59(51)72(7,8)57(46)35-44)66-55(70(61,3)4)30-29-48-47-21-12-14-23-62(47)75-68(48)66/h9-41H,1-8H3;9-43H,1-8H3;9-39H,1-8H3
InChIKeySVUDNMYGVGNKSE-UHFFFAOYSA-N
MW3064.89 g/mol
LogP63.11
Rot. Bonds13

About N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine

N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine (PubChem CID 160951228) has the molecular formula C228H171N3O7 and a molecular weight of 3064.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
PubChem CID160951228
Molecular FormulaC228H171N3O7
Molecular Weight3064.89 g/mol
Exact Mass3062.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4c(oc6ccccc64)c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C
InChIInChI=1S/C78H57NO3.C78H59NO2.C72H55NO2/c1-75(2)59-34-32-53-50-17-10-13-22-68(50)81-73(53)70(59)57-40-63-55(38-65(57)75)47-30-28-44(36-61(47)77(63,5)6)79(43-26-24-42(25-27-43)46-19-15-20-52-49-16-9-12-21-67(49)80-72(46)52)45-29-31-48-56-39-66-58(41-64(56)78(7,8)62(48)37-45)71-60(76(66,3)4)35-33-54-51-18-11-14-23-69(51)82-74(54)71;1-75(2)59-34-36-70-73(53-24-16-18-26-69(53)80-70)71(59)57-42-63-55(40-65(57)75)49-30-28-47(38-61(49)77(63,5)6)79(67-35-27-46(44-19-11-9-12-20-44)37-54(67)45-21-13-10-14-22-45)48-29-31-50-56-41-66-58(43-64(56)78(7,8)62(50)39-48)72-60(76(66,3)4)33-32-52-51-23-15-17-25-68(51)81-74(52)72;1-69(2)54-31-32-64-67(49-22-13-15-24-63(49)74-64)65(54)52-38-58-50(36-60(52)69)45-27-25-43(34-56(45)71(58,5)6)73(42-20-16-19-41(33-42)40-17-10-9-11-18-40)44-26-28-46-51-37-61-53(39-59(51)72(7,8)57(46)35-44)66-55(70(61,3)4)30-29-48-47-21-12-14-23-62(47)75-68(48)66/h9-41H,1-8H3;9-43H,1-8H3;9-39H,1-8H3
InChIKeySVUDNMYGVGNKSE-UHFFFAOYSA-N
XLogP63.11
TPSA101.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms238
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003064.89
LogP ≤ 563.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088984
N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(3-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163949132
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088668
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
14,14-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 134392874
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 138569763
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(11-dibenzofuran-3-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetramethyl-N-(2-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 146436608
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine (CID 160951228) is N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine is CC1(C)c2cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4c(oc6ccccc64)c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6ccccc6c4c3-5)ccc2-c2cc3c(cc21)-c1c(ccc2c1oc1ccccc12)C3(C)C.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine?
The InChIKey is SVUDNMYGVGNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H57NO3.C78H59NO2.C72H55NO2/c1-75(2)59-34-32-53-50-17-10-13-22-68(50)81-73(53)70(59)57-40-63-55(38-65(57)75)47-30-28-44(36-61(47)77(63,5)6)79(43-26-24-42(25-27-43)46-19-15-20-52-49-16-9-12-21-67(49)80-72(46)52)45-29-31-48-56-39-66-58(41-64(56)78(7,8)62(48)37-45)71-60(76(66,3)4)35-33-54-51-18-11-14-23-69(51)82-74(54)71;1-75(2)59-34-36-70-73(53-24-16-18-26-69(53)80-70)71(59)57-42-63-55(40-65(57)75)49-30-28-47(38-61(49)77(63,5)6)79(67-35-27-46(44-19-11-9-12-20-44)37-54(67)45-21-13-10-14-22-45)48-29-31-50-56-41-66-58(43-64(56)78(7,8)62(50)39-48)72-60(76(66,3)4)33-32-52-51-23-15-17-25-68(51)81-74(52)72;1-69(2)54-31-32-64-67(49-22-13-15-24-63(49)74-64)65(54)52-38-58-50(36-60(52)69)45-27-25-43(34-56(45)71(58,5)6)73(42-20-16-19-41(33-42)40-17-10-9-11-18-40)44-26-28-46-51-37-61-53(39-59(51)72(7,8)57(46)35-44)66-55(70(61,3)4)30-29-48-47-21-12-14-23-62(47)75-68(48)66/h9-41H,1-8H3;9-43H,1-8H3;9-39H,1-8H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine?
N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine has a molecular weight of 3064.89 g/mol, XLogP of 63.11, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;N-(2,4-diphenylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine;15,15,25,25-tetramethyl-N-(3-phenylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine is sourced from PubChem (CID 160951228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).