4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C58H39N — CID 170142135

IUPAC4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5cccc6c5ccc5c7ccccc7ccc65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-13-40(14-4-1)42-25-27-43(28-26-42)44-29-32-47(33-30-44)59(48-19-11-18-46(39-48)41-15-5-2-6-16-41)58-38-37-56(52-21-9-10-22-57(52)58)51-24-12-23-50-54-34-31-45-17-7-8-20-49(45)53(54)35-36-55(50)51/h1-39H
InChIKeyKJIORPBDVXVFFS-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170142135) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID170142135
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5cccc6c5ccc5c7ccccc7ccc65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-13-40(14-4-1)42-25-27-43(28-26-42)44-29-32-47(33-30-44)59(48-19-11-18-46(39-48)41-15-5-2-6-16-41)58-38-37-56(52-21-9-10-22-57(52)58)51-24-12-23-50-54-34-31-45-17-7-8-20-49(45)53(54)35-36-55(50)51/h1-39H
InChIKeyKJIORPBDVXVFFS-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-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
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
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
ethane;7-naphthalen-1-yl-N,N-diphenylphenanthren-2-amine;8-naphthalen-1-yl-N,N-diphenylphenanthren-1-amine;4-naphthalen-1-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;5-naphthalen-1-yl-N-(5-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 160719608
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262

Frequently Asked Questions

What is the IUPAC name of 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 170142135) is 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5cccc6c5ccc5c7ccccc7ccc65)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is KJIORPBDVXVFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-13-40(14-4-1)42-25-27-43(28-26-42)44-29-32-47(33-30-44)59(48-19-11-18-46(39-48)41-15-5-2-6-16-41)58-38-37-56(52-21-9-10-22-57(52)58)51-24-12-23-50-54-34-31-45-17-7-8-20-49(45)53(54)35-36-55(50)51/h1-39H.
What are the key properties of 4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]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-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170142135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).