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

C31H21N3S2 — CID 59358364

IUPAC15-(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
SMILESCc1cc2c3c(C)scc3c3ncc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3c2s1
InChIInChI=1S/C31H21N3S2/c1-18-14-24-29-19(2)35-17-25(29)30-32-16-28(34(30)31(24)36-18)20-8-7-9-21(15-20)33-26-12-5-3-10-22(26)23-11-4-6-13-27(23)33/h3-17H,1-2H3
InChIKeyZPBYUFZWLFDUJV-UHFFFAOYSA-N
MW499.66 g/mol
LogP9.14
Rot. Bonds2

About 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

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 (PubChem CID 59358364) has the molecular formula C31H21N3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(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
PubChem CID59358364
Molecular FormulaC31H21N3S2
Molecular Weight499.66 g/mol
Exact Mass499.12
IUPAC Name15-(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
SMILESCc1cc2c3c(C)scc3c3ncc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3c2s1
InChIInChI=1S/C31H21N3S2/c1-18-14-24-29-19(2)35-17-25(29)30-32-16-28(34(30)31(24)36-18)20-8-7-9-21(15-20)33-26-12-5-3-10-22(26)23-11-4-6-13-27(23)33/h3-17H,1-2H3
InChIKeyZPBYUFZWLFDUJV-UHFFFAOYSA-N
XLogP9.14
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

CID 59359019
CID 59359019
15-carbazol-9-yl-4-methyl-3,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),9,12,14-hexaene
CID 59359438
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717
10-(3-carbazol-9-ylphenyl)-9-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,10,12,14-heptaene
CID 59359311
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971
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
9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c3c(C)scc3c3ncc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3c2s1.
What is the InChIKey of 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?
The InChIKey is ZPBYUFZWLFDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3S2/c1-18-14-24-29-19(2)35-17-25(29)30-32-16-28(34(30)31(24)36-18)20-8-7-9-21(15-20)33-26-12-5-3-10-22(26)23-11-4-6-13-27(23)33/h3-17H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 499.66 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59358364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).