N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C54H38N2 — CID 167195810

IUPACN-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)41-31-34-46(35-32-41)55(51-29-14-13-27-48(51)42-21-9-3-10-22-42)47-26-15-23-44(37-47)49-28-16-30-53-54(49)50-38-43(40-19-7-2-8-20-40)33-36-52(50)56(53)45-24-11-4-12-25-45/h1-38H
InChIKeyVRHQXZNESZQRES-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167195810) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167195810
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-17-39(18-6-1)41-31-34-46(35-32-41)55(51-29-14-13-27-48(51)42-21-9-3-10-22-42)47-26-15-23-44(37-47)49-28-16-30-53-54(49)50-38-43(40-19-7-2-8-20-40)33-36-52(50)56(53)45-24-11-4-12-25-45/h1-38H
InChIKeyVRHQXZNESZQRES-UHFFFAOYSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 167195810) is N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VRHQXZNESZQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-17-39(18-6-1)41-31-34-46(35-32-41)55(51-29-14-13-27-48(51)42-21-9-3-10-22-42)47-26-15-23-44(37-47)49-28-16-30-53-54(49)50-38-43(40-19-7-2-8-20-40)33-36-52(50)56(53)45-24-11-4-12-25-45/h1-38H.
What are the key properties of N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 714.91 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167195810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).