2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline

C52H35N — CID 170141339

IUPAC2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)c(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C52H35N/c1-3-13-36(14-4-1)42-28-32-49(51-35-50-45-20-10-9-16-39(45)27-31-48(50)46-21-11-12-22-47(46)51)52(34-42)53(43-18-5-2-6-19-43)44-29-25-38(26-30-44)41-24-23-37-15-7-8-17-40(37)33-41/h1-35H
InChIKeyOBNKJFNXEBEVJZ-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline

2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline (PubChem CID 170141339) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline.

Molecular Properties

Compound Name2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
PubChem CID170141339
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC Name2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)c(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C52H35N/c1-3-13-36(14-4-1)42-28-32-49(51-35-50-45-20-10-9-16-39(45)27-31-48(50)46-21-11-12-22-47(46)51)52(34-42)53(43-18-5-2-6-19-43)44-29-25-38(26-30-44)41-24-23-37-15-7-8-17-40(37)33-41/h1-35H
InChIKeyOBNKJFNXEBEVJZ-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
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

5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
N-(4-naphthalen-2-ylphenyl)-N,3-diphenyltriphenylen-2-amine
CID 177294692
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline?
The IUPAC name of 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline (CID 170141339) is 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline.
What is the SMILES notation for 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline?
The canonical SMILES for 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline is c1ccc(-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)c(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1.
What is the InChIKey of 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline?
The InChIKey is OBNKJFNXEBEVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-3-13-36(14-4-1)42-28-32-49(51-35-50-45-20-10-9-16-39(45)27-31-48(50)46-21-11-12-22-47(46)51)52(34-42)53(43-18-5-2-6-19-43)44-29-25-38(26-30-44)41-24-23-37-15-7-8-17-40(37)33-41/h1-35H.
What are the key properties of 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline?
2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline is sourced from PubChem (CID 170141339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).