1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C54H38N4 — CID 161099965

IUPAC1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N4/c1-5-17-39(18-6-1)55-49-36-50(56-40-19-7-2-8-20-40)46(38-30-32-54-48(34-38)44-26-14-16-28-52(44)58(54)42-23-11-4-12-24-42)35-45(49)37-29-31-53-47(33-37)43-25-13-15-27-51(43)57(53)41-21-9-3-10-22-41/h1-36,55-56H
InChIKeyUIHGVYLSHRHSQU-UHFFFAOYSA-N
MW742.93 g/mol
LogP14.70
Rot. Bonds8

About 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine

1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 161099965) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID161099965
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(Nc2cc(Nc3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N4/c1-5-17-39(18-6-1)55-49-36-50(56-40-19-7-2-8-20-40)46(38-30-32-54-48(34-38)44-26-14-16-28-52(44)58(54)42-23-11-4-12-24-42)35-45(49)37-29-31-53-47(33-37)43-25-13-15-27-51(43)57(53)41-21-9-3-10-22-41/h1-36,55-56H
InChIKeyUIHGVYLSHRHSQU-UHFFFAOYSA-N
XLogP14.70
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 514.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
9-(4-methylphenyl)-N,3-diphenylcarbazol-2-amine
CID 129125677
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
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
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 161099965) is 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine is c1ccc(Nc2cc(Nc3ccccc3)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is UIHGVYLSHRHSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-5-17-39(18-6-1)55-49-36-50(56-40-19-7-2-8-20-40)46(38-30-32-54-48(34-38)44-26-14-16-28-52(44)58(54)42-23-11-4-12-24-42)35-45(49)37-29-31-53-47(33-37)43-25-13-15-27-51(43)57(53)41-21-9-3-10-22-41/h1-36,55-56H.
What are the key properties of 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 742.93 g/mol, XLogP of 14.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 161099965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).