3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole

C38H25N3 — CID 161289736

IUPAC3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(C6=Nc7ccccc7C6)cc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C38H25N3/c1-3-12-27(13-4-1)40-35-18-10-8-16-29(35)31-23-32-30-20-19-26(34-21-25-11-7-9-17-33(25)39-34)22-36(30)41(38(32)24-37(31)40)28-14-5-2-6-15-28/h1-20,22-24H,21H2
InChIKeyGHSYITJIZYTSNV-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.56
Rot. Bonds3

About 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole

3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 161289736) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
PubChem CID161289736
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(C6=Nc7ccccc7C6)cc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C38H25N3/c1-3-12-27(13-4-1)40-35-18-10-8-16-29(35)31-23-32-30-20-19-26(34-21-25-11-7-9-17-33(25)39-34)22-36(30)41(38(32)24-37(31)40)28-14-5-2-6-15-28/h1-20,22-24H,21H2
InChIKeyGHSYITJIZYTSNV-UHFFFAOYSA-N
XLogP9.56
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3H-indol-2-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 159892613
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 157153903
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole (CID 161289736) is 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccc(C6=Nc7ccccc7C6)cc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole?
The InChIKey is GHSYITJIZYTSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-3-12-27(13-4-1)40-35-18-10-8-16-29(35)31-23-32-30-20-19-26(34-21-25-11-7-9-17-33(25)39-34)22-36(30)41(38(32)24-37(31)40)28-14-5-2-6-15-28/h1-20,22-24H,21H2.
What are the key properties of 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole?
3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole has a molecular weight of 523.64 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 161289736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).