8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine

C257H163N15O7S — CID 165071542

IUPAC8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cn(-c5ccccc5)c5ccccc45)c4oc5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5c4c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2cc3c(oc4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5c43)c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ncoc4c3c2)c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2cc4ccccc4c(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c23)cc1
InChIInChI=1S/C70H45N3O2.C69H43N5O.C67H44N4O2.C51H31N3O2S/c1-4-22-49(23-5-1)70(60-32-16-14-30-57(60)58-31-15-17-33-61(58)70)50-38-42-54(43-39-50)72(53-40-36-46(37-41-53)69-71-62-34-18-19-35-63(62)75-69)66-55-28-12-11-21-48(55)45-64-65(66)59-44-47-20-10-13-29-56(47)67(68(59)74-64)73(51-24-6-2-7-25-51)52-26-8-3-9-27-52;1-3-19-44(20-4-1)72(46-35-37-47(38-36-46)74-70-62-33-17-18-34-63(62)71-74)64-42-57-67-54-28-9-7-26-52(54)65(43-66(67)75-68(57)55-29-10-8-27-53(55)64)73(45-21-5-2-6-22-45)48-39-40-61-56(41-48)51-25-13-16-32-60(51)69(61)58-30-14-11-23-49(58)50-24-12-15-31-59(50)69;1-4-18-50(19-5-1)69-44-61(57-24-12-14-26-63(57)69)60-42-49(46-28-33-53(34-29-46)70(51-20-6-2-7-21-51)55-37-30-45-16-10-11-17-48(45)40-55)41-59-58-43-56(38-39-64(58)72-66(59)60)71(52-22-8-3-9-23-52)54-35-31-47(32-36-54)67-68-62-25-13-15-27-65(62)73-67;1-3-12-34(13-4-1)53(36-21-19-32-20-25-44-50(42(32)28-36)55-31-52-44)37-23-26-46-43(29-37)49-45(27-33-11-7-8-16-39(33)51(49)56-46)54(35-14-5-2-6-15-35)38-22-24-41-40-17-9-10-18-47(40)57-48(41)30-38/h1-45H;1-43H;1-44H;1-31H
InChIKeySVTKEEKCQLVSSD-UHFFFAOYSA-N
MW3605.30 g/mol
LogP71.02
Rot. Bonds32

About 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine

8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine (PubChem CID 165071542) has the molecular formula C257H163N15O7S and a molecular weight of 3605.30 g/mol. Its IUPAC name is 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine
PubChem CID165071542
Molecular FormulaC257H163N15O7S
Molecular Weight3605.30 g/mol
Exact Mass3602.26
IUPAC Name8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4cn(-c5ccccc5)c5ccccc45)c4oc5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5c4c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2cc3c(oc4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5c43)c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ncoc4c3c2)c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2cc4ccccc4c(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c23)cc1
InChIInChI=1S/C70H45N3O2.C69H43N5O.C67H44N4O2.C51H31N3O2S/c1-4-22-49(23-5-1)70(60-32-16-14-30-57(60)58-31-15-17-33-61(58)70)50-38-42-54(43-39-50)72(53-40-36-46(37-41-53)69-71-62-34-18-19-35-63(62)75-69)66-55-28-12-11-21-48(55)45-64-65(66)59-44-47-20-10-13-29-56(47)67(68(59)74-64)73(51-24-6-2-7-25-51)52-26-8-3-9-27-52;1-3-19-44(20-4-1)72(46-35-37-47(38-36-46)74-70-62-33-17-18-34-63(62)71-74)64-42-57-67-54-28-9-7-26-52(54)65(43-66(67)75-68(57)55-29-10-8-27-53(55)64)73(45-21-5-2-6-22-45)48-39-40-61-56(41-48)51-25-13-16-32-60(51)69(61)58-30-14-11-23-49(58)50-24-12-15-31-59(50)69;1-4-18-50(19-5-1)69-44-61(57-24-12-14-26-63(57)69)60-42-49(46-28-33-53(34-29-46)70(51-20-6-2-7-21-51)55-37-30-45-16-10-11-17-48(45)40-55)41-59-58-43-56(38-39-64(58)72-66(59)60)71(52-22-8-3-9-23-52)54-35-31-47(32-36-54)67-68-62-25-13-15-27-65(62)73-67;1-3-12-34(13-4-1)53(36-21-19-32-20-25-44-50(42(32)28-36)55-31-52-44)37-23-26-46-43(29-37)49-45(27-33-11-7-8-16-39(33)51(49)56-46)54(35-14-5-2-6-15-35)38-22-24-41-40-17-9-10-18-47(40)57-48(41)30-38/h1-45H;1-43H;1-44H;1-31H
InChIKeySVTKEEKCQLVSSD-UHFFFAOYSA-N
XLogP71.02
TPSA192.21 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003605.30
LogP ≤ 571.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-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

CID 160415566
CID 160415566
12-(1,3-Benzoxazol-6-yl)-7-[9-(1,3-benzoxazol-6-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-yl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 130369545
12-Dibenzofuran-3-yl-20-(24-dibenzothiophen-3-yl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-21-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130369549
2-(1H-benzo[g]indazol-3-yl)-7-(1-benzothiophen-2-yl)-4-indazol-1-yl-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1,3-benzoxazole
CID 141036197
CID 157078640
CID 157078640
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 157101557
6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 157103304
N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzothiophen-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-naphtho[2,3-b][1]benzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 157145953
13-Dibenzofuran-4-yl-32-oxa-13-azaoctacyclo[19.11.0.02,14.03,12.04,9.015,20.022,31.025,30]dotriaconta-1(21),2(14),3(12),4,6,8,10,15,17,19,22(31),23,25,27,29-pentadecaene;18-dibenzothiophen-3-yl-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,19,21,23,25,27-tridecaene;13-(2,6-dipyridin-2-yl-4-pyridinyl)-32,32-dimethyl-13-azaoctacyclo[19.11.0.02,14.03,12.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),3,5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;9-phenyl-28-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 157164027
CID 157174014
CID 157174014
12-[4-(2-Carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157206317
N,12-diphenyl-N-pyridin-3-yl-[1]benzofuro[3,2-a]carbazol-6-amine;N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine;N-naphthalen-1-yl-N-[4-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]naphthalen-2-amine;N,N,12-triphenyl-[1]benzothiolo[2,3-a]carbazol-6-amine
CID 157219235

Frequently Asked Questions

What is the IUPAC name of 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine?
The IUPAC name of 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine (CID 165071542) is 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine.
What is the SMILES notation for 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine?
The canonical SMILES for 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine is c1ccc(N(c2ccc(-c3cc(-c4cn(-c5ccccc5)c5ccccc45)c4oc5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5c4c3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2cc3c(oc4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5c43)c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ncoc4c3c2)c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3cc3c2oc2cc4ccccc4c(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c23)cc1.
What is the InChIKey of 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine?
The InChIKey is SVTKEEKCQLVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N3O2.C69H43N5O.C67H44N4O2.C51H31N3O2S/c1-4-22-49(23-5-1)70(60-32-16-14-30-57(60)58-31-15-17-33-61(58)70)50-38-42-54(43-39-50)72(53-40-36-46(37-41-53)69-71-62-34-18-19-35-63(62)75-69)66-55-28-12-11-21-48(55)45-64-65(66)59-44-47-20-10-13-29-56(47)67(68(59)74-64)73(51-24-6-2-7-25-51)52-26-8-3-9-27-52;1-3-19-44(20-4-1)72(46-35-37-47(38-36-46)74-70-62-33-17-18-34-63(62)71-74)64-42-57-67-54-28-9-7-26-52(54)65(43-66(67)75-68(57)55-29-10-8-27-53(55)64)73(45-21-5-2-6-22-45)48-39-40-61-56(41-48)51-25-13-16-32-60(51)69(61)58-30-14-11-23-49(58)50-24-12-15-31-59(50)69;1-4-18-50(19-5-1)69-44-61(57-24-12-14-26-63(57)69)60-42-49(46-28-33-53(34-29-46)70(51-20-6-2-7-21-51)55-37-30-45-16-10-11-17-48(45)40-55)41-59-58-43-56(38-39-64(58)72-66(59)60)71(52-22-8-3-9-23-52)54-35-31-47(32-36-54)67-68-62-25-13-15-27-65(62)73-67;1-3-12-34(13-4-1)53(36-21-19-32-20-25-44-50(42(32)28-36)55-31-52-44)37-23-26-46-43(29-37)49-45(27-33-11-7-8-16-39(33)51(49)56-46)54(35-14-5-2-6-15-35)38-22-24-41-40-17-9-10-18-47(40)57-48(41)30-38/h1-45H;1-43H;1-44H;1-31H.
What are the key properties of 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine?
8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine has a molecular weight of 3605.30 g/mol, XLogP of 71.02, 32 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-benzo[g][1,3]benzoxazol-8-yl-6-N-dibenzothiophen-3-yl-6-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine;20-N-[4-(benzotriazol-2-yl)phenyl]-9-N,20-N-diphenyl-9-N-(9,9'-spirobi[fluorene]-3-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;3-N-[4-(1,3-benzoxazol-2-yl)phenyl]-14-N,14-N-diphenyl-3-N-[4-(9-phenylfluoren-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene-3,14-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-6-(1-phenylindol-3-yl)dibenzofuran-2-amine is sourced from PubChem (CID 165071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).