9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole

C31H31N — CID 135141021

IUPAC9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
SMILESCCC(C)(c1ccc(C(C)(C)c2ccccc2)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H31N/c1-5-31(4,32-28-17-11-9-15-26(28)27-16-10-12-18-29(27)32)25-21-19-24(20-22-25)30(2,3)23-13-7-6-8-14-23/h6-22H,5H2,1-4H3
InChIKeyDZDRBRBKOCJMJV-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.29
Rot. Bonds5

About 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole

9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole (PubChem CID 135141021) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
PubChem CID135141021
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC Name9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
SMILESCCC(C)(c1ccc(C(C)(C)c2ccccc2)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H31N/c1-5-31(4,32-28-17-11-9-15-26(28)27-16-10-12-18-29(27)32)25-21-19-24(20-22-25)30(2,3)23-13-7-6-8-14-23/h6-22H,5H2,1-4H3
InChIKeyDZDRBRBKOCJMJV-UHFFFAOYSA-N
XLogP8.29
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 ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole?
The IUPAC name of 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole (CID 135141021) is 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole.
What is the SMILES notation for 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole?
The canonical SMILES for 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole is CCC(C)(c1ccc(C(C)(C)c2ccccc2)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole?
The InChIKey is DZDRBRBKOCJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-5-31(4,32-28-17-11-9-15-26(28)27-16-10-12-18-29(27)32)25-21-19-24(20-22-25)30(2,3)23-13-7-6-8-14-23/h6-22H,5H2,1-4H3.
What are the key properties of 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole?
9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole has a molecular weight of 417.60 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole is sourced from PubChem (CID 135141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).