4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene

C29H18N4OS — CID 59358582

IUPAC4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
SMILESCc1cnc2c3conc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3n12
InChIInChI=1S/C29H18N4OS/c1-17-15-30-28-23-16-34-31-27(23)22-14-26(35-29(22)32(17)28)18-10-12-19(13-11-18)33-24-8-4-2-6-20(24)21-7-3-5-9-25(21)33/h2-16H,1H3
InChIKeyCOOSRQPIIADOEN-UHFFFAOYSA-N
MW470.56 g/mol
LogP7.76
Rot. Bonds2

About 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene

4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene (PubChem CID 59358582) has the molecular formula C29H18N4OS and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
PubChem CID59358582
Molecular FormulaC29H18N4OS
Molecular Weight470.56 g/mol
Exact Mass470.12
IUPAC Name4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
SMILESCc1cnc2c3conc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3n12
InChIInChI=1S/C29H18N4OS/c1-17-15-30-28-23-16-34-31-27(23)22-14-26(35-29(22)32(17)28)18-10-12-19(13-11-18)33-24-8-4-2-6-20(24)21-7-3-5-9-25(21)33/h2-16H,1H3
InChIKeyCOOSRQPIIADOEN-UHFFFAOYSA-N
XLogP7.76
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene with MolForge

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Related Compounds

15-(3-carbazol-9-ylphenyl)-4,8-dimethyl-3,9-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene
CID 59358364
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)pyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)pyrido[2,3-b]indole;9-phenyl-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 162059375
4-phenyl-14-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12(17),13,15-octaene
CID 163298381
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
CID 102137747
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
CID 58960696
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 118587604

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene (CID 59358582) is 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene is Cc1cnc2c3conc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3n12.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
The InChIKey is COOSRQPIIADOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4OS/c1-17-15-30-28-23-16-34-31-27(23)22-14-26(35-29(22)32(17)28)18-10-12-19(13-11-18)33-24-8-4-2-6-20(24)21-7-3-5-9-25(21)33/h2-16H,1H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene?
4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene has a molecular weight of 470.56 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-15-methyl-9-oxa-3-thia-1,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7,10,12,14-hexaene is sourced from PubChem (CID 59358582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).