N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline

C48H33N — CID 170135838

IUPACN-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-9-34(10-4-1)36-17-25-42(26-18-36)49(43-27-19-37(20-28-43)35-11-5-2-6-12-35)44-29-21-38(22-30-44)41-16-15-40-24-31-46-45-14-8-7-13-39(45)23-32-47(46)48(40)33-41/h1-33H
InChIKeyWHOYCJAEIDPKPX-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline

N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170135838) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170135838
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-9-34(10-4-1)36-17-25-42(26-18-36)49(43-27-19-37(20-28-43)35-11-5-2-6-12-35)44-29-21-38(22-30-44)41-16-15-40-24-31-46-45-14-8-7-13-39(45)23-32-47(46)48(40)33-41/h1-33H
InChIKeyWHOYCJAEIDPKPX-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline (CID 170135838) is N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WHOYCJAEIDPKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-9-34(10-4-1)36-17-25-42(26-18-36)49(43-27-19-37(20-28-43)35-11-5-2-6-12-35)44-29-21-38(22-30-44)41-16-15-40-24-31-46-45-14-8-7-13-39(45)23-32-47(46)48(40)33-41/h1-33H.
What are the key properties of N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline?
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170135838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).