N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline

C48H34N2 — CID 167322503

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C48H34N2/c1-3-14-35(15-4-1)39-16-13-19-42(34-39)49(40-17-5-2-6-18-40)41-32-30-37(31-33-41)36-26-28-38(29-27-36)43-20-7-10-23-46(43)50-47-24-11-8-21-44(47)45-22-9-12-25-48(45)50/h1-34H
InChIKeyRCRXDYZQBSVEIC-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline (PubChem CID 167322503) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
PubChem CID167322503
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C48H34N2/c1-3-14-35(15-4-1)39-16-13-19-42(34-39)49(40-17-5-2-6-18-40)41-32-30-37(31-33-41)36-26-28-38(29-27-36)43-20-7-10-23-46(43)50-47-24-11-8-21-44(47)45-22-9-12-25-48(45)50/h1-34H
InChIKeyRCRXDYZQBSVEIC-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170664617
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 164832068

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline (CID 167322503) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline?
The InChIKey is RCRXDYZQBSVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-14-35(15-4-1)39-16-13-19-42(34-39)49(40-17-5-2-6-18-40)41-32-30-37(31-33-41)36-26-28-38(29-27-36)43-20-7-10-23-46(43)50-47-24-11-8-21-44(47)45-22-9-12-25-48(45)50/h1-34H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline has a molecular weight of 638.81 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 167322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).