15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene

C37H23N3S — CID 59358984

IUPAC15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5sccc5n5nccc65)c4)ccc32)cc1
InChIInChI=1S/C37H23N3S/c1-2-9-28(10-3-1)39-33-12-5-4-11-29(33)31-22-27(14-16-34(31)39)25-8-6-7-24(21-25)26-13-15-30-32(23-26)37-36(18-20-41-37)40-35(30)17-19-38-40/h1-23H
InChIKeyQITRDMMNBFAAJO-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.13
Rot. Bonds3

About 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene

15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene (PubChem CID 59358984) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene.

Molecular Properties

Compound Name15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene
PubChem CID59358984
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5sccc5n5nccc65)c4)ccc32)cc1
InChIInChI=1S/C37H23N3S/c1-2-9-28(10-3-1)39-33-12-5-4-11-29(33)31-22-27(14-16-34(31)39)25-8-6-7-24(21-25)26-13-15-30-32(23-26)37-36(18-20-41-37)40-35(30)17-19-38-40/h1-23H
InChIKeyQITRDMMNBFAAJO-UHFFFAOYSA-N
XLogP10.13
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene with MolForge

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
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
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803

Frequently Asked Questions

What is the IUPAC name of 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene?
The IUPAC name of 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene (CID 59358984) is 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene.
What is the SMILES notation for 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene?
The canonical SMILES for 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5sccc5n5nccc65)c4)ccc32)cc1.
What is the InChIKey of 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene?
The InChIKey is QITRDMMNBFAAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-2-9-28(10-3-1)39-33-12-5-4-11-29(33)31-22-27(14-16-34(31)39)25-8-6-7-24(21-25)26-13-15-30-32(23-26)37-36(18-20-41-37)40-35(30)17-19-38-40/h1-23H.
What are the key properties of 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene?
15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene has a molecular weight of 541.68 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene is sourced from PubChem (CID 59358984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).