2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

C52H35N — CID 170675794

IUPAC2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-13-45(14-3-1)53(46-30-26-38(27-31-46)43-24-20-36-10-4-5-12-42(36)34-43)52-17-9-8-16-48(52)40-21-18-37(19-22-40)44-25-23-41-29-32-49-47-15-7-6-11-39(47)28-33-50(49)51(41)35-44/h1-35H
InChIKeyJLEXMEHAJKZBIY-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (PubChem CID 170675794) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
PubChem CID170675794
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC Name2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-13-45(14-3-1)53(46-30-26-38(27-31-46)43-24-20-36-10-4-5-12-42(36)34-43)52-17-9-8-16-48(52)40-21-18-37(19-22-40)44-25-23-41-29-32-49-47-15-7-6-11-39(47)28-33-50(49)51(41)35-44/h1-35H
InChIKeyJLEXMEHAJKZBIY-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

2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942

Frequently Asked Questions

What is the IUPAC name of 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The IUPAC name of 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (CID 170675794) is 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The canonical SMILES for 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2ccc(-c3ccc4ccc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The InChIKey is JLEXMEHAJKZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-13-45(14-3-1)53(46-30-26-38(27-31-46)43-24-20-36-10-4-5-12-42(36)34-43)52-17-9-8-16-48(52)40-21-18-37(19-22-40)44-25-23-41-29-32-49-47-15-7-6-11-39(47)28-33-50(49)51(41)35-44/h1-35H.
What are the key properties of 2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline 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-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170675794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).