14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene

C100H66N4OS2 — CID 159849610

IUPAC14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.c1ccc(-c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4c(ccn4-c4cccc5c4sc4ccccc45)c3s2)cc1
InChIInChI=1S/C56H41N3.C44H25NOS2/c1-55(2)47-17-9-5-13-37(47)39-24-21-34(32-49(39)55)57-29-27-44-46-31-36(59-51-19-11-7-15-41(51)42-16-8-12-20-52(42)59)23-26-43(46)53-45(54(44)57)28-30-58(53)35-22-25-40-38-14-6-10-18-48(38)56(3,4)50(40)33-35;1-2-10-26(11-3-1)40-25-36-35-24-27(28-14-8-15-32-29-12-4-6-18-38(29)46-42(28)32)20-21-31(35)41-34(43(36)48-40)22-23-45(41)37-17-9-16-33-30-13-5-7-19-39(30)47-44(33)37/h5-33H,1-4H3;1-25H
InChIKeyNPTKWMPQLQPSLZ-UHFFFAOYSA-N
MW1403.79 g/mol
LogP28.04
Rot. Bonds6

About 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene

14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene (PubChem CID 159849610) has the molecular formula C100H66N4OS2 and a molecular weight of 1403.79 g/mol. Its IUPAC name is 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene.

Molecular Properties

Compound Name14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
PubChem CID159849610
Molecular FormulaC100H66N4OS2
Molecular Weight1403.79 g/mol
Exact Mass1402.47
IUPAC Name14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.c1ccc(-c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4c(ccn4-c4cccc5c4sc4ccccc45)c3s2)cc1
InChIInChI=1S/C56H41N3.C44H25NOS2/c1-55(2)47-17-9-5-13-37(47)39-24-21-34(32-49(39)55)57-29-27-44-46-31-36(59-51-19-11-7-15-41(51)42-16-8-12-20-52(42)59)23-26-43(46)53-45(54(44)57)28-30-58(53)35-22-25-40-38-14-6-10-18-48(38)56(3,4)50(40)33-35;1-2-10-26(11-3-1)40-25-36-35-24-27(28-14-8-15-32-29-12-4-6-18-38(29)46-42(28)32)20-21-31(35)41-34(43(36)48-40)22-23-45(41)37-17-9-16-33-30-13-5-7-19-39(30)47-44(33)37/h5-33H,1-4H3;1-25H
InChIKeyNPTKWMPQLQPSLZ-UHFFFAOYSA-N
XLogP28.04
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.79
LogP ≤ 528.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene with MolForge

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Related Compounds

14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
CID 90363355
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene
CID 158307851
3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
CID 159212687
9-(3-dibenzofuran-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159453257
9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole
CID 159433866
3-dibenzofuran-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 159085521
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158948861
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
9-dibenzofuran-3-yl-14-(9,9-dimethylfluoren-3-yl)-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;9-dibenzothiophen-4-yl-14-(9,9-dimethylfluoren-3-yl)-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;9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-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;9-(9,9-dimethylfluoren-3-yl)-14-[3-(4-phenylphenyl)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 161235819
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511649

Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The IUPAC name of 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene (CID 159849610) is 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene.
What is the SMILES notation for 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The canonical SMILES for 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene is CC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c43)cc21.c1ccc(-c2cc3c4cc(-c5cccc6c5oc5ccccc56)ccc4c4c(ccn4-c4cccc5c4sc4ccccc45)c3s2)cc1.
What is the InChIKey of 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The InChIKey is NPTKWMPQLQPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3.C44H25NOS2/c1-55(2)47-17-9-5-13-37(47)39-24-21-34(32-49(39)55)57-29-27-44-46-31-36(59-51-19-11-7-15-41(51)42-16-8-12-20-52(42)59)23-26-43(46)53-45(54(44)57)28-30-58(53)35-22-25-40-38-14-6-10-18-48(38)56(3,4)50(40)33-35;1-2-10-26(11-3-1)40-25-36-35-24-27(28-14-8-15-32-29-12-4-6-18-38(29)46-42(28)32)20-21-31(35)41-34(43(36)48-40)22-23-45(41)37-17-9-16-33-30-13-5-7-19-39(30)47-44(33)37/h5-33H,1-4H3;1-25H.
What are the key properties of 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene has a molecular weight of 1403.79 g/mol, XLogP of 28.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene is sourced from PubChem (CID 159849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).