5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

C38H24N2S2 — CID 130417409

IUPAC5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc(-c4cccs4)s3)c2)cc1
InChIInChI=1S/C38H24N2S2/c1-2-11-26(12-3-1)39-32-16-6-4-14-28(32)30-24-35-31(23-34(30)39)29-15-5-7-17-33(29)40(35)27-13-8-10-25(22-27)36-19-20-38(42-36)37-18-9-21-41-37/h1-24H
InChIKeyZKOHNRSRKJMLJQ-UHFFFAOYSA-N
MW572.76 g/mol
LogP11.34
Rot. Bonds4

About 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole

5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 130417409) has the molecular formula C38H24N2S2 and a molecular weight of 572.76 g/mol. Its IUPAC name is 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
PubChem CID130417409
Molecular FormulaC38H24N2S2
Molecular Weight572.76 g/mol
Exact Mass572.14
IUPAC Name5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc(-c4cccs4)s3)c2)cc1
InChIInChI=1S/C38H24N2S2/c1-2-11-26(12-3-1)39-32-16-6-4-14-28(32)30-24-35-31(23-34(30)39)29-15-5-7-17-33(29)40(35)27-13-8-10-25(22-27)36-19-20-38(42-36)37-18-9-21-41-37/h1-24H
InChIKeyZKOHNRSRKJMLJQ-UHFFFAOYSA-N
XLogP11.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 177093517
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
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281754
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
CID 59403674
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole (CID 130417409) is 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc(-c4cccs4)s3)c2)cc1.
What is the InChIKey of 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is ZKOHNRSRKJMLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S2/c1-2-11-26(12-3-1)39-32-16-6-4-14-28(32)30-24-35-31(23-34(30)39)29-15-5-7-17-33(29)40(35)27-13-8-10-25(22-27)36-19-20-38(42-36)37-18-9-21-41-37/h1-24H.
What are the key properties of 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole?
5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 572.76 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 130417409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).