N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

C47H32N2 — CID 59390674

IUPACN-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H32N2/c1-2-13-33(14-3-1)34-24-26-36(27-25-34)46-40-18-6-8-20-42(40)47(43-21-9-7-19-41(43)46)37-28-30-38(31-29-37)49(45-23-10-11-32-48-45)44-22-12-16-35-15-4-5-17-39(35)44/h1-32H
InChIKeyPZJQKUGMDIDVCN-UHFFFAOYSA-N
MW624.79 g/mol
LogP13.01
Rot. Bonds6

About N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (PubChem CID 59390674) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
PubChem CID59390674
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC NameN-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H32N2/c1-2-13-33(14-3-1)34-24-26-36(27-25-34)46-40-18-6-8-20-42(40)47(43-21-9-7-19-41(43)46)37-28-30-38(31-29-37)49(45-23-10-11-32-48-45)44-22-12-16-35-15-4-5-17-39(35)44/h1-32H
InChIKeyPZJQKUGMDIDVCN-UHFFFAOYSA-N
XLogP13.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (CID 59390674) is N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?
The InChIKey is PZJQKUGMDIDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-2-13-33(14-3-1)34-24-26-36(27-25-34)46-40-18-6-8-20-42(40)47(43-21-9-7-19-41(43)46)37-28-30-38(31-29-37)49(45-23-10-11-32-48-45)44-22-12-16-35-15-4-5-17-39(35)44/h1-32H.
What are the key properties of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine has a molecular weight of 624.79 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 59390674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).