N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline

C42H30N2 — CID 134380568

IUPACN-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H30N2/c1-2-10-30(11-3-1)31-18-24-34(25-19-31)43-35-26-20-32(21-27-35)37-12-4-5-13-38(37)33-22-28-36(29-23-33)44-41-16-8-6-14-39(41)40-15-7-9-17-42(40)44/h1-29,43H
InChIKeyJUAMILIQHDNMBL-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.53
Rot. Bonds6

About N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline

N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline (PubChem CID 134380568) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
PubChem CID134380568
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC NameN-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H30N2/c1-2-10-30(11-3-1)31-18-24-34(25-19-31)43-35-26-20-32(21-27-35)37-12-4-5-13-38(37)33-22-28-36(29-23-33)44-41-16-8-6-14-39(41)40-15-7-9-17-42(40)44/h1-29,43H
InChIKeyJUAMILIQHDNMBL-UHFFFAOYSA-N
XLogP11.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
CID 158400459
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
CID 159139576

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline (CID 134380568) is N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(Nc3ccc(-c4ccccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is JUAMILIQHDNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-2-10-30(11-3-1)31-18-24-34(25-19-31)43-35-26-20-32(21-27-35)37-12-4-5-13-38(37)33-22-28-36(29-23-33)44-41-16-8-6-14-39(41)40-15-7-9-17-42(40)44/h1-29,43H.
What are the key properties of N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline?
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 562.72 g/mol, XLogP of 11.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 134380568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).