N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C54H38N2 — CID 166659568

IUPACN-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-16-39(17-5-1)40-30-32-41(33-31-40)42-34-36-47(37-35-42)55(45-20-6-2-7-21-45)51-27-12-10-24-48(51)43-18-14-19-44(38-43)49-26-15-29-53-54(49)50-25-11-13-28-52(50)56(53)46-22-8-3-9-23-46/h1-38H
InChIKeyQWAUMVUAJCPLHB-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166659568) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166659568
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-16-39(17-5-1)40-30-32-41(33-31-40)42-34-36-47(37-35-42)55(45-20-6-2-7-21-45)51-27-12-10-24-48(51)43-18-14-19-44(38-43)49-26-15-29-53-54(49)50-25-11-13-28-52(50)56(53)46-22-8-3-9-23-46/h1-38H
InChIKeyQWAUMVUAJCPLHB-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

N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166659568) is N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is QWAUMVUAJCPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-16-39(17-5-1)40-30-32-41(33-31-40)42-34-36-47(37-35-42)55(45-20-6-2-7-21-45)51-27-12-10-24-48(51)43-18-14-19-44(38-43)49-26-15-29-53-54(49)50-25-11-13-28-52(50)56(53)46-22-8-3-9-23-46/h1-38H.
What are the key properties of N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]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-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166659568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).