1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine

C48H35N3 — CID 175396320

IUPAC1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N3/c1-4-12-34(13-5-1)35-20-22-37(23-21-35)44-33-41(29-30-46(44)50-39-14-6-2-7-15-39)49-40-27-24-36(25-28-40)38-26-31-48-45(32-38)43-18-10-11-19-47(43)51(48)42-16-8-3-9-17-42/h1-33,49-50H
InChIKeyQSLXAYZSFJYGNN-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.27
Rot. Bonds8

About 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine

1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 175396320) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID175396320
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N3/c1-4-12-34(13-5-1)35-20-22-37(23-21-35)44-33-41(29-30-46(44)50-39-14-6-2-7-15-39)49-40-27-24-36(25-28-40)38-26-31-48-45(32-38)43-18-10-11-19-47(43)51(48)42-16-8-3-9-17-42/h1-33,49-50H
InChIKeyQSLXAYZSFJYGNN-UHFFFAOYSA-N
XLogP13.27
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine (CID 175396320) is 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is QSLXAYZSFJYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-4-12-34(13-5-1)35-20-22-37(23-21-35)44-33-41(29-30-46(44)50-39-14-6-2-7-15-39)49-40-27-24-36(25-28-40)38-26-31-48-45(32-38)43-18-10-11-19-47(43)51(48)42-16-8-3-9-17-42/h1-33,49-50H.
What are the key properties of 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine?
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 653.83 g/mol, XLogP of 13.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 175396320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).