12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole

C36H24N2 — CID 165165529

IUPAC12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc1
InChIInChI=1S/C36H24N2/c1-2-12-24(13-3-1)25-14-4-5-15-26(25)28-17-7-10-20-33(28)38-34-21-11-8-18-29(34)31-23-22-30-27-16-6-9-19-32(27)37-35(30)36(31)38/h1-23,37H
InChIKeyJYIXGPJYIFZSCL-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.75
Rot. Bonds3

About 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole

12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole (PubChem CID 165165529) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
PubChem CID165165529
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc1
InChIInChI=1S/C36H24N2/c1-2-12-24(13-3-1)25-14-4-5-15-26(25)28-17-7-10-20-33(28)38-34-21-11-8-18-29(34)31-23-22-30-27-16-6-9-19-32(27)37-35(30)36(31)38/h1-23,37H
InChIKeyJYIXGPJYIFZSCL-UHFFFAOYSA-N
XLogP9.75
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole (CID 165165529) is 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole is c1ccc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)cc1.
What is the InChIKey of 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole?
The InChIKey is JYIXGPJYIFZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-12-24(13-3-1)25-14-4-5-15-26(25)28-17-7-10-20-33(28)38-34-21-11-8-18-29(34)31-23-22-30-27-16-6-9-19-32(27)37-35(30)36(31)38/h1-23,37H.
What are the key properties of 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole?
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole has a molecular weight of 484.60 g/mol, XLogP of 9.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole is sourced from PubChem (CID 165165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).