10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine

C58H39N — CID 174257838

IUPAC10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4c3)c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C58H39N/c1-4-13-40(14-5-1)44-20-12-21-52(36-44)59(54-31-32-56-57(43-17-8-3-9-18-43)38-50-19-10-11-22-55(50)58(56)39-54)53-30-29-42-23-24-49(35-51(42)37-53)48-28-27-46-33-45(25-26-47(46)34-48)41-15-6-2-7-16-41/h1-39H
InChIKeySEQKRCOLKMSBEX-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine

10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine (PubChem CID 174257838) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound Name10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
PubChem CID174257838
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4c3)c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C58H39N/c1-4-13-40(14-5-1)44-20-12-21-52(36-44)59(54-31-32-56-57(43-17-8-3-9-18-43)38-50-19-10-11-22-55(50)58(56)39-54)53-30-29-42-23-24-49(35-51(42)37-53)48-28-27-46-33-45(25-26-47(46)34-48)41-15-6-2-7-16-41/h1-39H
InChIKeySEQKRCOLKMSBEX-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'}

Analyze 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine
CID 166845961
17-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033349
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine?
The IUPAC name of 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine (CID 174257838) is 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine.
What is the SMILES notation for 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine?
The canonical SMILES for 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine is c1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5)cc4c3)c3ccc4c(-c5ccccc5)cc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine?
The InChIKey is SEQKRCOLKMSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-4-13-40(14-5-1)44-20-12-21-52(36-44)59(54-31-32-56-57(43-17-8-3-9-18-43)38-50-19-10-11-22-55(50)58(56)39-54)53-30-29-42-23-24-49(35-51(42)37-53)48-28-27-46-33-45(25-26-47(46)34-48)41-15-6-2-7-16-41/h1-39H.
What are the key properties of 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine?
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-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 10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 174257838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).