6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine

C34H30N2 — CID 58827483

IUPAC6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine
SMILESCC(C)(C)c1ccc2[nH]c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc3c2c1
InChIInChI=1S/C34H30N2/c1-34(2,3)25-18-20-31-29(22-25)30-23-27(19-21-32(30)35-31)36(26-14-8-5-9-15-26)33-17-11-10-16-28(33)24-12-6-4-7-13-24/h4-23,35H,1-3H3
InChIKeyBOMASHCEXZDBFJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP9.76
Rot. Bonds4

About 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine

6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 58827483) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine
PubChem CID58827483
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine
SMILESCC(C)(C)c1ccc2[nH]c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc3c2c1
InChIInChI=1S/C34H30N2/c1-34(2,3)25-18-20-31-29(22-25)30-23-27(19-21-32(30)35-31)36(26-14-8-5-9-15-26)33-17-11-10-16-28(33)24-12-6-4-7-13-24/h4-23,35H,1-3H3
InChIKeyBOMASHCEXZDBFJ-UHFFFAOYSA-N
XLogP9.76
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine (CID 58827483) is 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine is CC(C)(C)c1ccc2[nH]c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc3c2c1.
What is the InChIKey of 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is BOMASHCEXZDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-34(2,3)25-18-20-31-29(22-25)30-23-27(19-21-32(30)35-31)36(26-14-8-5-9-15-26)33-17-11-10-16-28(33)24-12-6-4-7-13-24/h4-23,35H,1-3H3.
What are the key properties of 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine?
6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 466.63 g/mol, XLogP of 9.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 58827483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).