2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline

C48H30N4 — CID 67965685

IUPAC2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)c5ccccc45)c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C48H30N4/c1-3-15-31(16-4-1)47-49-43-25-13-11-23-41(43)45(51-47)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-42-24-12-14-26-44(42)50-48(52-46)32-17-5-2-6-18-32/h1-30H
InChIKeyYGZKIHZTTBPDQN-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline

2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline (PubChem CID 67965685) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline
PubChem CID67965685
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)c5ccccc45)c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C48H30N4/c1-3-15-31(16-4-1)47-49-43-25-13-11-23-41(43)45(51-47)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-42-24-12-14-26-44(42)50-48(52-46)32-17-5-2-6-18-32/h1-30H
InChIKeyYGZKIHZTTBPDQN-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline 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 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline?
The IUPAC name of 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline (CID 67965685) is 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline?
The canonical SMILES for 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)c5ccccc45)c4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline?
The InChIKey is YGZKIHZTTBPDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-15-31(16-4-1)47-49-43-25-13-11-23-41(43)45(51-47)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-42-24-12-14-26-44(42)50-48(52-46)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline?
2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[4-(2-phenylquinazolin-4-yl)naphthalen-1-yl]naphthalen-1-yl]quinazoline is sourced from PubChem (CID 67965685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).