10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

C44H28N2S — CID 164828529

IUPAC10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccccc4-c4ccc5c(c4)sc4c6ccccc6n(-c6ccccc6)c54)cccc32)cc1
InChIInChI=1S/C44H28N2S/c1-3-14-30(15-4-1)45-38-23-11-9-20-35(38)42-34(22-13-25-40(42)45)33-19-8-7-18-32(33)29-26-27-37-41(28-29)47-44-36-21-10-12-24-39(36)46(43(37)44)31-16-5-2-6-17-31/h1-28H
InChIKeyJQGJDFZQFYFDLX-UHFFFAOYSA-N
MW616.79 g/mol
LogP12.43
Rot. Bonds4

About 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164828529) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID164828529
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccccc4-c4ccc5c(c4)sc4c6ccccc6n(-c6ccccc6)c54)cccc32)cc1
InChIInChI=1S/C44H28N2S/c1-3-14-30(15-4-1)45-38-23-11-9-20-35(38)42-34(22-13-25-40(42)45)33-19-8-7-18-32(33)29-26-27-37-41(28-29)47-44-36-21-10-12-24-39(36)46(43(37)44)31-16-5-2-6-17-31/h1-28H
InChIKeyJQGJDFZQFYFDLX-UHFFFAOYSA-N
XLogP12.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
7-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828047
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
7-(10-naphthalen-1-ylanthracen-9-yl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 166873057
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
12-phenyl-5-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 134530248
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
7-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158218017
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (CID 164828529) is 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3c(-c4ccccc4-c4ccc5c(c4)sc4c6ccccc6n(-c6ccccc6)c54)cccc32)cc1.
What is the InChIKey of 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is JQGJDFZQFYFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-3-14-30(15-4-1)45-38-23-11-9-20-35(38)42-34(22-13-25-40(42)45)33-19-8-7-18-32(33)29-26-27-37-41(28-29)47-44-36-21-10-12-24-39(36)46(43(37)44)31-16-5-2-6-17-31/h1-28H.
What are the key properties of 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 616.79 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-[2-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).