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

C54H38N2 — CID 167195348

IUPACN-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2/c1-5-20-39(21-6-1)43-37-49(54-48-32-15-18-35-52(48)55(53(54)38-43)44-27-11-4-12-28-44)42-26-19-29-45(36-42)56(50-33-16-13-30-46(50)40-22-7-2-8-23-40)51-34-17-14-31-47(51)41-24-9-3-10-25-41/h1-38H
InChIKeySFMWLQBGNIFGCS-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

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

N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 167195348) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID167195348
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H38N2/c1-5-20-39(21-6-1)43-37-49(54-48-32-15-18-35-52(48)55(53(54)38-43)44-27-11-4-12-28-44)42-26-19-29-45(36-42)56(50-33-16-13-30-46(50)40-22-7-2-8-23-40)51-34-17-14-31-47(51)41-24-9-3-10-25-41/h1-38H
InChIKeySFMWLQBGNIFGCS-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

3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
CID 177077824
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
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-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (CID 167195348) is N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2cc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is SFMWLQBGNIFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-20-39(21-6-1)43-37-49(54-48-32-15-18-35-52(48)55(53(54)38-43)44-27-11-4-12-28-44)42-26-19-29-45(36-42)56(50-33-16-13-30-46(50)40-22-7-2-8-23-40)51-34-17-14-31-47(51)41-24-9-3-10-25-41/h1-38H.
What are the key properties of N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-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-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 167195348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).