3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline

C54H38N2 — CID 118337352

IUPAC3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-18-39(19-6-1)43-34-44(40-20-7-2-8-21-40)37-48(36-43)56-53-31-16-15-30-51(53)52-33-32-42(38-54(52)56)50-29-14-13-28-49(50)41-22-17-27-47(35-41)55(45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-38H
InChIKeyWKGGHCIANDFALM-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline

3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline (PubChem CID 118337352) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
PubChem CID118337352
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-18-39(19-6-1)43-34-44(40-20-7-2-8-21-40)37-48(36-43)56-53-31-16-15-30-51(53)52-33-32-42(38-54(52)56)50-29-14-13-28-49(50)41-22-17-27-47(35-41)55(45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-38H
InChIKeyWKGGHCIANDFALM-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

2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 154586240
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 126628010
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[2-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;9-methyl-N-[3-[2-[3-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[2-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[3-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 158692781

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline (CID 118337352) is 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1.
What is the InChIKey of 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is WKGGHCIANDFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-18-39(19-6-1)43-34-44(40-20-7-2-8-21-40)37-48(36-43)56-53-31-16-15-30-51(53)52-33-32-42(38-54(52)56)50-29-14-13-28-49(50)41-22-17-27-47(35-41)55(45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-38H.
What are the key properties of 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline 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 3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).