4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline

C44H30N2 — CID 126579137

IUPAC4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-31(15-5-1)38-28-39(32-16-6-2-7-17-32)30-40(29-38)36-22-12-20-34(26-36)35-21-13-23-37(27-35)43-41-24-10-11-25-42(41)45-44(46-43)33-18-8-3-9-19-33/h1-30H
InChIKeyCQWRWDINCIVMKC-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.63
Rot. Bonds6

About 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline

4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline (PubChem CID 126579137) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
PubChem CID126579137
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6ccccc56)c4)c3)c2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-31(15-5-1)38-28-39(32-16-6-2-7-17-32)30-40(29-38)36-22-12-20-34(26-36)35-21-13-23-37(27-35)43-41-24-10-11-25-42(41)45-44(46-43)33-18-8-3-9-19-33/h1-30H
InChIKeyCQWRWDINCIVMKC-UHFFFAOYSA-N
XLogP11.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline 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

2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
22-[3-[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475214
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
2-[7-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]dibenzothiophen-3-yl]-4-(3-phenylphenyl)quinazoline
CID 118640887
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
2-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-4-(3-phenylphenyl)quinazoline
CID 118641260
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline (CID 126579137) is 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6ccccc56)c4)c3)c2)cc1.
What is the InChIKey of 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline?
The InChIKey is CQWRWDINCIVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-4-14-31(15-5-1)38-28-39(32-16-6-2-7-17-32)30-40(29-38)36-22-12-20-34(26-36)35-21-13-23-37(27-35)43-41-24-10-11-25-42(41)45-44(46-43)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline?
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline has a molecular weight of 586.74 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 126579137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).