4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

C58H39N — CID 170141564

IUPAC4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-12-40(13-4-1)42-26-31-49(32-27-42)59(50-18-11-17-46(39-50)41-14-5-2-6-15-41)58-37-36-52(54-20-9-10-21-57(54)58)45-24-22-43(23-25-45)47-29-33-53-48(38-47)30-35-55-51-19-8-7-16-44(51)28-34-56(53)55/h1-39H
InChIKeyXQNGRRZJKWTDSS-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 170141564) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID170141564
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-12-40(13-4-1)42-26-31-49(32-27-42)59(50-18-11-17-46(39-50)41-14-5-2-6-15-41)58-37-36-52(54-20-9-10-21-57(54)58)45-24-22-43(23-25-45)47-29-33-53-48(38-47)30-35-55-51-19-8-7-16-44(51)28-34-56(53)55/h1-39H
InChIKeyXQNGRRZJKWTDSS-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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

4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714

Frequently Asked Questions

What is the IUPAC name of 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 170141564) is 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is XQNGRRZJKWTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-12-40(13-4-1)42-26-31-49(32-27-42)59(50-18-11-17-46(39-50)41-14-5-2-6-15-41)58-37-36-52(54-20-9-10-21-57(54)58)45-24-22-43(23-25-45)47-29-33-53-48(38-47)30-35-55-51-19-8-7-16-44(51)28-34-56(53)55/h1-39H.
What are the key properties of 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170141564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).