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-carbazol-9-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-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

C144H92N6OS4 — CID 157358326

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-carbazol-9-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-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-carbazol-9-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-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 157358326) has the molecular formula C144H92N6OS4 and a molecular weight of 2050.63 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-carbazol-9-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-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 Name: 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-carbazol-9-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-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: 157358326
• Molecular Formula: C144H92N6OS4
• Molecular Weight: 2050.63 g/mol
• Exact Mass: 2048.62
• IUPAC Name: 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-carbazol-9-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-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
• SMILES: 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.c1ccc(-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4c(ccn4-c4cccc5c4sc4ccccc45)c3s2)cc1
• InChI: InChI=1S/C56H41N3.C44H26N2S2.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;1-2-11-27(12-3-1)41-26-36-35-25-28(46-37-17-7-4-13-29(37)30-14-5-8-18-38(30)46)21-22-32(35)42-34(43(36)48-41)23-24-45(42)39-19-10-16-33-31-15-6-9-20-40(31)47-44(33)39;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;1-26H;1-25H
• InChIKey: BIISIHXVNNWNRN-UHFFFAOYSA-N
• XLogP: 41.17
• TPSA: 42.72 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.63
LogP ≤ 5	41.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-carbazol-9-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-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-carbazol-9-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-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 157358326) 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-carbazol-9-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-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-carbazol-9-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-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-carbazol-9-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-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.c1ccc(-c2cc3c4cc(-n5c6ccccc6c6ccccc65)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-carbazol-9-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-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 BIISIHXVNNWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3.C44H26N2S2.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;1-2-11-27(12-3-1)41-26-36-35-25-28(46-37-17-7-4-13-29(37)30-14-5-8-18-38(30)46)21-22-32(35)42-34(43(36)48-41)23-24-45(42)39-19-10-16-33-31-15-6-9-20-40(31)47-44(33)39;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;1-26H;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-carbazol-9-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-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-carbazol-9-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-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 2050.63 g/mol, XLogP of 41.17, 9 rotatable bonds, 0 hydrogen bond donors, and 11 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-carbazol-9-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-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 157358326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).