N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine

C40H27N — CID 164774115

IUPACN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2ccc3ccccc3c2-c2ccc3ccccc3c2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-17-34(18-3-1)41(40-36-20-10-7-15-31(36)27-32-16-8-11-21-37(32)40)38-25-24-29-13-6-9-19-35(29)39(38)33-23-22-28-12-4-5-14-30(28)26-33/h1-27H
InChIKeyPJWOJNBQDHFIOD-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.44
Rot. Bonds4

About N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine

N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine (PubChem CID 164774115) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
PubChem CID164774115
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2ccc3ccccc3c2-c2ccc3ccccc3c2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-17-34(18-3-1)41(40-36-20-10-7-15-31(36)27-32-16-8-11-21-37(32)40)38-25-24-29-13-6-9-19-35(29)39(38)33-23-22-28-12-4-5-14-30(28)26-33/h1-27H
InChIKeyPJWOJNBQDHFIOD-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.44
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-phenylanthracen-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-(3-phenylphenyl)anthracen-9-amine
CID 164774903
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N,N,1-triphenylanthracen-2-amine
CID 87853759
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
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
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,N-bis(3-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N,N-bis(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-N-(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 165046285
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine?
The IUPAC name of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine (CID 164774115) is N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine?
The canonical SMILES for N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine is c1ccc(N(c2ccc3ccccc3c2-c2ccc3ccccc3c2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine?
The InChIKey is PJWOJNBQDHFIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-17-34(18-3-1)41(40-36-20-10-7-15-31(36)27-32-16-8-11-21-37(32)40)38-25-24-29-13-6-9-19-35(29)39(38)33-23-22-28-12-4-5-14-30(28)26-33/h1-27H.
What are the key properties of N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine?
N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine has a molecular weight of 521.66 g/mol, XLogP of 11.44, 4 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-phenylanthracen-9-amine is sourced from PubChem (CID 164774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).