4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline

C40H26N4 — CID 163860497

IUPAC4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
SMILESc1ccc(-c2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-13-29(14-4-1)38-35(26-41-39(43-38)31-15-5-2-6-16-31)28-22-24-30(25-23-28)37-34-19-9-10-21-36(34)42-40(44-37)33-20-11-17-27-12-7-8-18-32(27)33/h1-26H
InChIKeyPCCGDJQRHAJPOJ-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline

4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline (PubChem CID 163860497) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
PubChem CID163860497
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
SMILESc1ccc(-c2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-3-13-29(14-4-1)38-35(26-41-39(43-38)31-15-5-2-6-16-31)28-22-24-30(25-23-28)37-34-19-9-10-21-36(34)42-40(44-37)33-20-11-17-27-12-7-8-18-32(27)33/h1-26H
InChIKeyPCCGDJQRHAJPOJ-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087669
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
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline
CID 159226043
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline?
The IUPAC name of 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline (CID 163860497) is 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline.
What is the SMILES notation for 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline?
The canonical SMILES for 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline is c1ccc(-c2ncc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline?
The InChIKey is PCCGDJQRHAJPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-13-29(14-4-1)38-35(26-41-39(43-38)31-15-5-2-6-16-31)28-22-24-30(25-23-28)37-34-19-9-10-21-36(34)42-40(44-37)33-20-11-17-27-12-7-8-18-32(27)33/h1-26H.
What are the key properties of 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline?
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline is sourced from PubChem (CID 163860497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).