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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Related Compounds

N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
16-(4-tert-butylphenyl)-N-phenyl-N-(2-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032691
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753193
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-(4-tert-butylphenyl)-N-[4-[2,3-dimethyl-3-(3-phenylphenyl)butan-2-yl]phenyl]-2-phenylaniline
CID 134313575
4-N-tert-butyl-1-N-[6-(2-methylbutan-2-yl)-9H-carbazol-3-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70658349
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753229
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753134

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).