9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole

C31H31N — CID 167189366

IUPAC9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
SMILESCCC(C)n1c2ccccc2c2cc(-c3cccc(-c4ccc(C(C)C)cc4)c3)ccc21
InChIInChI=1S/C31H31N/c1-5-22(4)32-30-12-7-6-11-28(30)29-20-27(17-18-31(29)32)26-10-8-9-25(19-26)24-15-13-23(14-16-24)21(2)3/h6-22H,5H2,1-4H3
InChIKeyYPJOVXKGSPMXNE-UHFFFAOYSA-N
MW417.60 g/mol
LogP9.22
Rot. Bonds5

About 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole

9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole (PubChem CID 167189366) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
PubChem CID167189366
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC Name9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
SMILESCCC(C)n1c2ccccc2c2cc(-c3cccc(-c4ccc(C(C)C)cc4)c3)ccc21
InChIInChI=1S/C31H31N/c1-5-22(4)32-30-12-7-6-11-28(30)29-20-27(17-18-31(29)32)26-10-8-9-25(19-26)24-15-13-23(14-16-24)21(2)3/h6-22H,5H2,1-4H3
InChIKeyYPJOVXKGSPMXNE-UHFFFAOYSA-N
XLogP9.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole (CID 167189366) is 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole is CCC(C)n1c2ccccc2c2cc(-c3cccc(-c4ccc(C(C)C)cc4)c3)ccc21.
What is the InChIKey of 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole?
The InChIKey is YPJOVXKGSPMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-5-22(4)32-30-12-7-6-11-28(30)29-20-27(17-18-31(29)32)26-10-8-9-25(19-26)24-15-13-23(14-16-24)21(2)3/h6-22H,5H2,1-4H3.
What are the key properties of 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole?
9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole has a molecular weight of 417.60 g/mol, XLogP of 9.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 167189366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).