9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene

C34H20N2S — CID 163298508

IUPAC9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccsc7c(c4)c56)ccc32)cc1
InChIInChI=1S/C34H20N2S/c1-2-8-23(9-3-1)35-29-12-6-4-10-24(29)26-18-21(14-15-31(26)35)22-19-27-25-11-5-7-13-30(25)36-32-16-17-37-34(32)28(20-22)33(27)36/h1-20H
InChIKeyOFGDRHPSTMUBQS-UHFFFAOYSA-N
MW488.62 g/mol
LogP9.66
Rot. Bonds2

About 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene

9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene (PubChem CID 163298508) has the molecular formula C34H20N2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene.

Molecular Properties

Compound Name9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene
PubChem CID163298508
Molecular FormulaC34H20N2S
Molecular Weight488.62 g/mol
Exact Mass488.13
IUPAC Name9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccsc7c(c4)c56)ccc32)cc1
InChIInChI=1S/C34H20N2S/c1-2-8-23(9-3-1)35-29-12-6-4-10-24(29)26-18-21(14-15-31(26)35)22-19-27-25-11-5-7-13-30(25)36-32-16-17-37-34(32)28(20-22)33(27)36/h1-20H
InChIKeyOFGDRHPSTMUBQS-UHFFFAOYSA-N
XLogP9.66
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene with MolForge

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Related Compounds

9-(9-triphenylen-2-ylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene
CID 163298310
10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364
4-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 157089999
14-(9-phenylcarbazol-3-yl)-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7(18),8,10,12(17),13,15-octaene
CID 163298334
10-phenyl-4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422809
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114
16-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 153449380
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800
10-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121323825
10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186402

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene?
The IUPAC name of 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene (CID 163298508) is 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene.
What is the SMILES notation for 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene?
The canonical SMILES for 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccsc7c(c4)c56)ccc32)cc1.
What is the InChIKey of 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene?
The InChIKey is OFGDRHPSTMUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2S/c1-2-8-23(9-3-1)35-29-12-6-4-10-24(29)26-18-21(14-15-31(26)35)22-19-27-25-11-5-7-13-30(25)36-32-16-17-37-34(32)28(20-22)33(27)36/h1-20H.
What are the key properties of 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene?
9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene has a molecular weight of 488.62 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene is sourced from PubChem (CID 163298508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).