14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene

C28H21N3S — CID 59358201

IUPAC14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(C)sc1n1ccnc21
InChIInChI=1S/C28H21N3S/c1-16-4-8-25-22(12-16)23-13-17(2)5-9-26(23)31(25)19-6-7-20-21(15-19)24-14-18(3)32-28(24)30-11-10-29-27(20)30/h4-15H,1-3H3
InChIKeyRYZHICSLVFLZNO-UHFFFAOYSA-N
MW431.56 g/mol
LogP7.72
Rot. Bonds1

About 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene

14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene (PubChem CID 59358201) has the molecular formula C28H21N3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene.

Molecular Properties

Compound Name14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene
PubChem CID59358201
Molecular FormulaC28H21N3S
Molecular Weight431.56 g/mol
Exact Mass431.15
IUPAC Name14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(C)sc1n1ccnc21
InChIInChI=1S/C28H21N3S/c1-16-4-8-25-22(12-16)23-13-17(2)5-9-26(23)31(25)19-6-7-20-21(15-19)24-14-18(3)32-28(24)30-11-10-29-27(20)30/h4-15H,1-3H3
InChIKeyRYZHICSLVFLZNO-UHFFFAOYSA-N
XLogP7.72
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene with MolForge

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Related Compounds

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3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
CID 58049768
3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
CID 89492367
2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
CID 90195030
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 59358801

Frequently Asked Questions

What is the IUPAC name of 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene?
The IUPAC name of 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene (CID 59358201) is 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene.
What is the SMILES notation for 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene?
The canonical SMILES for 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(C)sc1n1ccnc21.
What is the InChIKey of 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene?
The InChIKey is RYZHICSLVFLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3S/c1-16-4-8-25-22(12-16)23-13-17(2)5-9-26(23)31(25)19-6-7-20-21(15-19)24-14-18(3)32-28(24)30-11-10-29-27(20)30/h4-15H,1-3H3.
What are the key properties of 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene?
14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene has a molecular weight of 431.56 g/mol, XLogP of 7.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3,6-dimethylcarbazol-9-yl)-9-methyl-8-thia-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,4,7(11),9,13,15-heptaene is sourced from PubChem (CID 59358201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).