9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole

C42H38N2 — CID 91181836

IUPAC9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCCC(C)Cc1cccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H29N.C12H9N/c1-4-21(2)17-23-10-8-12-26(19-23)31-29-14-6-5-13-27(29)28-20-25(15-16-30(28)31)24-11-7-9-22(3)18-24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-16,18-21H,4,17H2,1-3H3;1-8,13H
InChIKeyKPNOGJVATMQBHC-UHFFFAOYSA-N
MW570.78 g/mol
LogP11.67
Rot. Bonds5

About 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole

9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole (PubChem CID 91181836) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole
PubChem CID91181836
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC Name9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole
SMILESCCC(C)Cc1cccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H29N.C12H9N/c1-4-21(2)17-23-10-8-12-26(19-23)31-29-14-6-5-13-27(29)28-20-25(15-16-30(28)31)24-11-7-9-22(3)18-24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-16,18-21H,4,17H2,1-3H3;1-8,13H
InChIKeyKPNOGJVATMQBHC-UHFFFAOYSA-N
XLogP11.67
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-carbazol-3-yl)-9-[3-(2-methylpropyl)phenyl]carbazole
CID 59306787
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
2-(3-carbazol-9-ylphenyl)-9H-carbazole
CID 118378581
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
3,6-bis[9-[3-(2-methylpropyl)phenyl]carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307104
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
ethane;3-methyl-9H-carbazole;9-(3-methylphenyl)carbazole
CID 167454384
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole?
The IUPAC name of 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole (CID 91181836) is 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole.
What is the SMILES notation for 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole?
The canonical SMILES for 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole is CCC(C)Cc1cccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is KPNOGJVATMQBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N.C12H9N/c1-4-21(2)17-23-10-8-12-26(19-23)31-29-14-6-5-13-27(29)28-20-25(15-16-30(28)31)24-11-7-9-22(3)18-24;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h5-16,18-21H,4,17H2,1-3H3;1-8,13H.
What are the key properties of 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole?
9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole has a molecular weight of 570.78 g/mol, XLogP of 11.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;9-[3-(2-methylbutyl)phenyl]-3-(3-methylphenyl)carbazole is sourced from PubChem (CID 91181836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).