N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine

C46H31N — CID 164774903

IUPACN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3c4ccccc4cc4ccccc34)c2)cc1
InChIInChI=1S/C46H31N/c1-2-13-32(14-3-1)36-20-12-21-40(31-36)47(46-42-23-10-7-18-37(42)30-38-19-8-11-24-43(38)46)44-28-27-34-16-6-9-22-41(34)45(44)39-26-25-33-15-4-5-17-35(33)29-39/h1-31H
InChIKeyNTIRBRNSDYFVCR-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine

N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine (PubChem CID 164774903) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine
PubChem CID164774903
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3c4ccccc4cc4ccccc34)c2)cc1
InChIInChI=1S/C46H31N/c1-2-13-32(14-3-1)36-20-12-21-40(31-36)47(46-42-23-10-7-18-37(42)30-38-19-8-11-24-43(38)46)44-28-27-34-16-6-9-22-41(34)45(44)39-26-25-33-15-4-5-17-35(33)29-39/h1-31H
InChIKeyNTIRBRNSDYFVCR-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-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-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
CID 164774115
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-yl]pentacyclo[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 171728735
1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522847
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
N-(4-naphthalen-2-ylphenyl)-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-1-amine
CID 166676735
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine?
The IUPAC name of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine (CID 164774903) is N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine?
The canonical SMILES for N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3c4ccccc4cc4ccccc34)c2)cc1.
What is the InChIKey of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine?
The InChIKey is NTIRBRNSDYFVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-13-32(14-3-1)36-20-12-21-40(31-36)47(46-42-23-10-7-18-37(42)30-38-19-8-11-24-43(38)46)44-28-27-34-16-6-9-22-41(34)45(44)39-26-25-33-15-4-5-17-35(33)29-39/h1-31H.
What are the key properties of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine?
N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine has a molecular weight of 597.76 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine is sourced from PubChem (CID 164774903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).