3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline

C34H30N2 — CID 163736875

IUPAC3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H30N2/c1-3-25(2)26-21-22-34-32(23-26)31-19-10-11-20-33(31)36(34)30-18-12-17-29(24-30)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-25H,3H2,1-2H3
InChIKeyLEJYAJFMGHOGED-UHFFFAOYSA-N
MW466.63 g/mol
LogP9.77
Rot. Bonds6

About 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline

3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline (PubChem CID 163736875) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
PubChem CID163736875
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H30N2/c1-3-25(2)26-21-22-34-32(23-26)31-19-10-11-20-33(31)36(34)30-18-12-17-29(24-30)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-25H,3H2,1-2H3
InChIKeyLEJYAJFMGHOGED-UHFFFAOYSA-N
XLogP9.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-9-phenylcarbazole
CID 23520668
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 152855009
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222
6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 161258382
N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
CID 59196853

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline (CID 163736875) is 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline is CCC(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline?
The InChIKey is LEJYAJFMGHOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-3-25(2)26-21-22-34-32(23-26)31-19-10-11-20-33(31)36(34)30-18-12-17-29(24-30)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-25H,3H2,1-2H3.
What are the key properties of 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline?
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline has a molecular weight of 466.63 g/mol, XLogP of 9.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 163736875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).