2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline

C128H86N6 — CID 163717750

IUPAC2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc4n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccccc5n4)cc3)c2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/2C44H30N2.C40H26N2/c1-5-14-31(15-6-1)35-24-36(32-16-7-2-8-17-32)27-39(26-35)41-22-13-23-43-42(41)30-45-44(46-43)40-28-37(33-18-9-3-10-19-33)25-38(29-40)34-20-11-4-12-21-34;1-3-11-31(12-4-1)37-15-9-17-39(29-37)33-21-25-35(26-22-33)43-41-19-7-8-20-42(41)45-44(46-43)36-27-23-34(24-28-36)40-18-10-16-38(30-40)32-13-5-2-6-14-32;1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-37-11-5-6-12-38(37)41-40(42-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h2*1-30H;1-26H
InChIKeyKOVIOENXLVJZBM-UHFFFAOYSA-N
MW1708.14 g/mol
LogP33.87
Rot. Bonds16

About 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline

2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline (PubChem CID 163717750) has the molecular formula C128H86N6 and a molecular weight of 1708.14 g/mol. Its IUPAC name is 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline.

Molecular Properties

Compound Name2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline
PubChem CID163717750
Molecular FormulaC128H86N6
Molecular Weight1708.14 g/mol
Exact Mass1706.69
IUPAC Name2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc4n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccccc5n4)cc3)c2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/2C44H30N2.C40H26N2/c1-5-14-31(15-6-1)35-24-36(32-16-7-2-8-17-32)27-39(26-35)41-22-13-23-43-42(41)30-45-44(46-43)40-28-37(33-18-9-3-10-19-33)25-38(29-40)34-20-11-4-12-21-34;1-3-11-31(12-4-1)37-15-9-17-39(29-37)33-21-25-35(26-22-33)43-41-19-7-8-20-42(41)45-44(46-43)36-27-23-34(24-28-36)40-18-10-16-38(30-40)32-13-5-2-6-14-32;1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-37-11-5-6-12-38(37)41-40(42-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h2*1-30H;1-26H
InChIKeyKOVIOENXLVJZBM-UHFFFAOYSA-N
XLogP33.87
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001708.14
LogP ≤ 533.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline 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-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
6-(3,5-dinaphthalen-2-ylphenyl)-2,4-diphenylquinazoline;2,4-diphenyl-6-(4-phenylnaphthalen-1-yl)quinazoline;2,4-diphenyl-6-triphenylen-2-ylquinazoline
CID 158031758
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)quinazoline
CID 89279802
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162132064

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline?
The IUPAC name of 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline (CID 163717750) is 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline.
What is the SMILES notation for 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline?
The canonical SMILES for 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cccc4n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccccc5n4)cc3)c2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc3)ccc2c1.
What is the InChIKey of 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline?
The InChIKey is KOVIOENXLVJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H30N2.C40H26N2/c1-5-14-31(15-6-1)35-24-36(32-16-7-2-8-17-32)27-39(26-35)41-22-13-23-43-42(41)30-45-44(46-43)40-28-37(33-18-9-3-10-19-33)25-38(29-40)34-20-11-4-12-21-34;1-3-11-31(12-4-1)37-15-9-17-39(29-37)33-21-25-35(26-22-33)43-41-19-7-8-20-42(41)45-44(46-43)36-27-23-34(24-28-36)40-18-10-16-38(30-40)32-13-5-2-6-14-32;1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-37-11-5-6-12-38(37)41-40(42-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h2*1-30H;1-26H.
What are the key properties of 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline?
2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline has a molecular weight of 1708.14 g/mol, XLogP of 33.87, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline is sourced from PubChem (CID 163717750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).