N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine

C56H37N — CID 166589643

IUPACN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)c6ccccc56)c5cc6ccccc6c6ccccc56)cc4)c23)cc1
InChIInChI=1S/C56H37N/c1-2-15-39(16-3-1)46-28-13-20-41-21-14-29-47(56(41)46)40-31-33-43(34-32-40)57(55-37-42-18-5-7-23-45(42)49-24-8-11-27-53(49)55)54-36-35-51(50-25-9-10-26-52(50)54)48-30-12-19-38-17-4-6-22-44(38)48/h1-37H
InChIKeyFWVSTMDAXLPHCF-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine

N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine (PubChem CID 166589643) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
PubChem CID166589643
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)c6ccccc56)c5cc6ccccc6c6ccccc56)cc4)c23)cc1
InChIInChI=1S/C56H37N/c1-2-15-39(16-3-1)46-28-13-20-41-21-14-29-47(56(41)46)40-31-33-43(34-32-40)57(55-37-42-18-5-7-23-45(42)49-24-8-11-27-53(49)55)54-36-35-51(50-25-9-10-26-52(50)54)48-30-12-19-38-17-4-6-22-44(38)48/h1-37H
InChIKeyFWVSTMDAXLPHCF-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164774174
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine (CID 166589643) is N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)c6ccccc56)c5cc6ccccc6c6ccccc56)cc4)c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
The InChIKey is FWVSTMDAXLPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-15-39(16-3-1)46-28-13-20-41-21-14-29-47(56(41)46)40-31-33-43(34-32-40)57(55-37-42-18-5-7-23-45(42)49-24-8-11-27-53(49)55)54-36-35-51(50-25-9-10-26-52(50)54)48-30-12-19-38-17-4-6-22-44(38)48/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine?
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 166589643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).