9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C255H212N2O — CID 160608124

IUPAC9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3.CC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2ccccc2c1-3.CC1(C)c2cc(-c3cccc(N4c5ccccc5C5(C)CCCCC45C)c3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cccc(N4c5ccccc5C5(C)CCCCC45C)c2)c2ccccc2c1-3.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc5c(cc34)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4ccccc34)C5(C)C)ccc21
InChIInChI=1S/C68H66N2.2C66H52.C55H42O/c1-63(2)56-39-44(43-21-19-23-46(37-43)69-60-29-13-11-27-54(60)65(5)33-15-17-35-67(65,69)7)31-32-49(56)52-40-53-58(42-57(52)63)64(3,4)59-41-51(48-25-9-10-26-50(48)62(53)59)45-22-20-24-47(38-45)70-61-30-14-12-28-55(61)66(6)34-16-18-36-68(66,70)8;1-63(2)56-31-37(47-32-51-41-22-15-17-27-54(41)65(5,6)61(51)45-25-13-10-20-39(45)47)29-30-43(56)50-34-53-58(36-57(50)63)64(3,4)59-35-49(38-19-9-12-24-44(38)60(53)59)48-33-52-42-23-16-18-28-55(42)66(7,8)62(52)46-26-14-11-21-40(46)48;1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4;1-53(2)44-17-11-9-14-35(44)40-25-31(20-23-46(40)53)32-19-22-37-42-28-43-48(30-51(42)56-50(37)27-32)55(5,6)49-29-39(34-13-7-8-16-38(34)52(43)49)33-21-24-47-41(26-33)36-15-10-12-18-45(36)54(47,3)4/h9-14,19-32,37-42H,15-18,33-36H2,1-8H3;2*9-36H,1-8H3;7-30H,1-6H3
InChIKeyRFDNGCCRLNXEHD-UHFFFAOYSA-N
MW3320.51 g/mol
LogP68.67
Rot. Bonds10

About 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 160608124) has the molecular formula C255H212N2O and a molecular weight of 3320.51 g/mol. Its IUPAC name is 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
PubChem CID160608124
Molecular FormulaC255H212N2O
Molecular Weight3320.51 g/mol
Exact Mass3317.66
IUPAC Name9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3.CC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2ccccc2c1-3.CC1(C)c2cc(-c3cccc(N4c5ccccc5C5(C)CCCCC45C)c3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cccc(N4c5ccccc5C5(C)CCCCC45C)c2)c2ccccc2c1-3.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc5c(cc34)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4ccccc34)C5(C)C)ccc21
InChIInChI=1S/C68H66N2.2C66H52.C55H42O/c1-63(2)56-39-44(43-21-19-23-46(37-43)69-60-29-13-11-27-54(60)65(5)33-15-17-35-67(65,69)7)31-32-49(56)52-40-53-58(42-57(52)63)64(3,4)59-41-51(48-25-9-10-26-50(48)62(53)59)45-22-20-24-47(38-45)70-61-30-14-12-28-55(61)66(6)34-16-18-36-68(66,70)8;1-63(2)56-31-37(47-32-51-41-22-15-17-27-54(41)65(5,6)61(51)45-25-13-10-20-39(45)47)29-30-43(56)50-34-53-58(36-57(50)63)64(3,4)59-35-49(38-19-9-12-24-44(38)60(53)59)48-33-52-42-23-16-18-28-55(42)66(7,8)62(52)46-26-14-11-21-40(46)48;1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4;1-53(2)44-17-11-9-14-35(44)40-25-31(20-23-46(40)53)32-19-22-37-42-28-43-48(30-51(42)56-50(37)27-32)55(5,6)49-29-39(34-13-7-8-16-38(34)52(43)49)33-21-24-47-41(26-33)36-15-10-12-18-45(36)54(47,3)4/h9-14,19-32,37-42H,15-18,33-36H2,1-8H3;2*9-36H,1-8H3;7-30H,1-6H3
InChIKeyRFDNGCCRLNXEHD-UHFFFAOYSA-N
XLogP68.67
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms258
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003320.51
LogP ≤ 568.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 146228022
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 153447199
9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-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]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 157370632
12,22-bis(9,9-dimethylfluoren-3-yl)-15,15-dimethyl-10,19-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 146228025
12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
CID 146228023
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 158087359
9-[8-(11,11-dimethyl-7-phenylbenzo[b]fluoren-8-yl)pyren-4-yl]-7,7-dimethyl-3-pyren-1-ylfluoreno[2,3-b][1]benzofuran
CID 167218291
3-(9,9-dioctylfluoren-2-yl)-7-[4-[11-[4-[7-(9,9-dioctylfluoren-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-14,14,21,21,31,31-hexamethyl-24-octacyclo[15.14.0.03,15.04,13.05,10.018,30.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,18(30),19,22(27),23,25,28-tetradecaenyl]naphthalen-1-yl]dibenzofuran
CID 146593440
3-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 122426638
N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 159910131

Frequently Asked Questions

What is the IUPAC name of 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The IUPAC name of 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 160608124) is 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The canonical SMILES for 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is CC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3.CC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2ccccc2c1-3.CC1(C)c2cc(-c3cccc(N4c5ccccc5C5(C)CCCCC45C)c3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cccc(N4c5ccccc5C5(C)CCCCC45C)c2)c2ccccc2c1-3.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc5c(cc34)-c3c(cc(-c4ccc6c(c4)-c4ccccc4C6(C)C)c4ccccc34)C5(C)C)ccc21.
What is the InChIKey of 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The InChIKey is RFDNGCCRLNXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H66N2.2C66H52.C55H42O/c1-63(2)56-39-44(43-21-19-23-46(37-43)69-60-29-13-11-27-54(60)65(5)33-15-17-35-67(65,69)7)31-32-49(56)52-40-53-58(42-57(52)63)64(3,4)59-41-51(48-25-9-10-26-50(48)62(53)59)45-22-20-24-47(38-45)70-61-30-14-12-28-55(61)66(6)34-16-18-36-68(66,70)8;1-63(2)56-31-37(47-32-51-41-22-15-17-27-54(41)65(5,6)61(51)45-25-13-10-20-39(45)47)29-30-43(56)50-34-53-58(36-57(50)63)64(3,4)59-35-49(38-19-9-12-24-44(38)60(53)59)48-33-52-42-23-16-18-28-55(42)66(7,8)62(52)46-26-14-11-21-40(46)48;1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4;1-53(2)44-17-11-9-14-35(44)40-25-31(20-23-46(40)53)32-19-22-37-42-28-43-48(30-51(42)56-50(37)27-32)55(5,6)49-29-39(34-13-7-8-16-38(34)52(43)49)33-21-24-47-41(26-33)36-15-10-12-18-45(36)54(47,3)4/h9-14,19-32,37-42H,15-18,33-36H2,1-8H3;2*9-36H,1-8H3;7-30H,1-6H3.
What are the key properties of 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 3320.51 g/mol, XLogP of 68.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 160608124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).