1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine

C34H21N3S — CID 155101082

IUPAC1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ncccc2-c2nccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H21N3S/c1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)30-17-7-3-13-26(30)32-27(14-9-20-35-32)33-34-25(19-21-36-33)24-12-4-8-18-31(24)38-34/h1-21H
InChIKeyRYXDOEIWFJXHNN-UHFFFAOYSA-N
MW503.63 g/mol
LogP9.28
Rot. Bonds3

About 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine

1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 155101082) has the molecular formula C34H21N3S and a molecular weight of 503.63 g/mol. Its IUPAC name is 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID155101082
Molecular FormulaC34H21N3S
Molecular Weight503.63 g/mol
Exact Mass503.15
IUPAC Name1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ncccc2-c2nccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H21N3S/c1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)30-17-7-3-13-26(30)32-27(14-9-20-35-32)33-34-25(19-21-36-33)24-12-4-8-18-31(24)38-34/h1-21H
InChIKeyRYXDOEIWFJXHNN-UHFFFAOYSA-N
XLogP9.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168811229
1-[2-[2-(21-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155102769
1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101157
1-[2-[2-(14-phenyl-9,14,16,23-tetrazahexacyclo[11.10.0.02,10.03,8.015,23.017,22]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaen-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155103648
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159128386
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640758
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276199
1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166037126
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine (CID 155101082) is 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ncccc2-c2nccc3c2sc2ccccc23)c1.
What is the InChIKey of 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is RYXDOEIWFJXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3S/c1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)30-17-7-3-13-26(30)32-27(14-9-20-35-32)33-34-25(19-21-36-33)24-12-4-8-18-31(24)38-34/h1-21H.
What are the key properties of 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine?
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 503.63 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 155101082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).