2,4-bis(3,5-diphenylphenyl)quinazoline

C44H30N2 — CID 146334707

IUPAC2,4-bis(3,5-diphenylphenyl)quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4n3)c2)cc1
InChIInChI=1S/C44H30N2/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)43-41-23-13-14-24-42(41)45-44(46-43)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34/h1-30H
InChIKeyCBFDLGUHMXDRAJ-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.63
Rot. Bonds6

About 2,4-bis(3,5-diphenylphenyl)quinazoline

2,4-bis(3,5-diphenylphenyl)quinazoline (PubChem CID 146334707) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 2,4-bis(3,5-diphenylphenyl)quinazoline.

Molecular Properties

Compound Name2,4-bis(3,5-diphenylphenyl)quinazoline
PubChem CID146334707
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name2,4-bis(3,5-diphenylphenyl)quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4n3)c2)cc1
InChIInChI=1S/C44H30N2/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)43-41-23-13-14-24-42(41)45-44(46-43)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34/h1-30H
InChIKeyCBFDLGUHMXDRAJ-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

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
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
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
CID 118552110
2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796956
1-[3,5-bis[4-(3,5-diphenylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]-4-(3,5-diphenylphenyl)-2,3,5,6-tetramethylbenzene;2-[3,5-bis(4-phenylquinazolin-2-yl)phenyl]-4-phenylquinazoline;2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline
CID 162007240
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]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 121475063

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-diphenylphenyl)quinazoline?
The IUPAC name of 2,4-bis(3,5-diphenylphenyl)quinazoline (CID 146334707) is 2,4-bis(3,5-diphenylphenyl)quinazoline.
What is the SMILES notation for 2,4-bis(3,5-diphenylphenyl)quinazoline?
The canonical SMILES for 2,4-bis(3,5-diphenylphenyl)quinazoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4n3)c2)cc1.
What is the InChIKey of 2,4-bis(3,5-diphenylphenyl)quinazoline?
The InChIKey is CBFDLGUHMXDRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)43-41-23-13-14-24-42(41)45-44(46-43)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34/h1-30H.
What are the key properties of 2,4-bis(3,5-diphenylphenyl)quinazoline?
2,4-bis(3,5-diphenylphenyl)quinazoline 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 2,4-bis(3,5-diphenylphenyl)quinazoline is sourced from PubChem (CID 146334707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).