N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine

C49H36N2 — CID 59431534

IUPACN-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C49H36N2/c1-50(49-34-40-15-6-7-17-44(40)46-19-9-10-20-47(46)49)41-28-22-37(23-29-41)38-26-32-43(33-27-38)51(48-21-11-16-39-14-5-8-18-45(39)48)42-30-24-36(25-31-42)35-12-3-2-4-13-35/h2-34H,1H3
InChIKeyGCZMTLRDHLYMSM-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.72
Rot. Bonds7

About N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine

N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine (PubChem CID 59431534) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
PubChem CID59431534
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C49H36N2/c1-50(49-34-40-15-6-7-17-44(40)46-19-9-10-20-47(46)49)41-28-22-37(23-29-41)38-26-32-43(33-27-38)51(48-21-11-16-39-14-5-8-18-45(39)48)42-30-24-36(25-31-42)35-12-3-2-4-13-35/h2-34H,1H3
InChIKeyGCZMTLRDHLYMSM-UHFFFAOYSA-N
XLogP13.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157084085
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
N-methyl-N-(4-phenylphenyl)chrysen-6-amine
CID 139546740
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
CID 59431968
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine (CID 59431534) is N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine is CN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is GCZMTLRDHLYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-50(49-34-40-15-6-7-17-44(40)46-19-9-10-20-47(46)49)41-28-22-37(23-29-41)38-26-32-43(33-27-38)51(48-21-11-16-39-14-5-8-18-45(39)48)42-30-24-36(25-31-42)35-12-3-2-4-13-35/h2-34H,1H3.
What are the key properties of N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine?
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 652.84 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 59431534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).