N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline

C54H39N3 — CID 166133960

IUPACN,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
SMILESc1ccc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3N(c3ccccc3)c3ccccc3)c2-c2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H39N3/c1-6-22-39(23-7-1)47-38-48-44-32-16-19-35-49(44)55-54(48)53(46-34-18-21-37-51(46)57(42-28-12-4-13-29-42)43-30-14-5-15-31-43)52(47)45-33-17-20-36-50(45)56(40-24-8-2-9-25-40)41-26-10-3-11-27-41/h1-38,55H
InChIKeyBNAITMYKGFXQQP-UHFFFAOYSA-N
MW729.93 g/mol
LogP15.26
Rot. Bonds9

About N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline

N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline (PubChem CID 166133960) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
PubChem CID166133960
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC NameN,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
SMILESc1ccc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3N(c3ccccc3)c3ccccc3)c2-c2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H39N3/c1-6-22-39(23-7-1)47-38-48-44-32-16-19-35-49(44)55-54(48)53(46-34-18-21-37-51(46)57(42-28-12-4-13-29-42)43-30-14-5-15-31-43)52(47)45-33-17-20-36-50(45)56(40-24-8-2-9-25-40)41-26-10-3-11-27-41/h1-38,55H
InChIKeyBNAITMYKGFXQQP-UHFFFAOYSA-N
XLogP15.26
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 515.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-diphenyl-9H-carbazol-1-yl)phenyl]-N,2-diphenylaniline
CID 166134777
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233
N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 166133613
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
CID 166133424
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline?
The IUPAC name of N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline (CID 166133960) is N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline is c1ccc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3N(c3ccccc3)c3ccccc3)c2-c2ccccc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline?
The InChIKey is BNAITMYKGFXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-6-22-39(23-7-1)47-38-48-44-32-16-19-35-49(44)55-54(48)53(46-34-18-21-37-51(46)57(42-28-12-4-13-29-42)43-30-14-5-15-31-43)52(47)45-33-17-20-36-50(45)56(40-24-8-2-9-25-40)41-26-10-3-11-27-41/h1-38,55H.
What are the key properties of N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline?
N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline has a molecular weight of 729.93 g/mol, XLogP of 15.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline is sourced from PubChem (CID 166133960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).