7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline

C30H20N2 — CID 159038864

IUPAC7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3ncnc4cc(-c5cccc6ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C30H20N2/c1-2-7-21(8-3-1)22-13-15-24(16-14-22)30-28-18-17-25(19-29(28)31-20-32-30)27-12-6-10-23-9-4-5-11-26(23)27/h1-20H
InChIKeyFKHCHWKEPVNBKA-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.78
Rot. Bonds3

About 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline

7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline (PubChem CID 159038864) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
PubChem CID159038864
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3ncnc4cc(-c5cccc6ccccc56)ccc34)cc2)cc1
InChIInChI=1S/C30H20N2/c1-2-7-21(8-3-1)22-13-15-24(16-14-22)30-28-18-17-25(19-29(28)31-20-32-30)27-12-6-10-23-9-4-5-11-26(23)27/h1-20H
InChIKeyFKHCHWKEPVNBKA-UHFFFAOYSA-N
XLogP7.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
7,14-dimethyl-3-naphthalen-1-yl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134595893
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-naphthalen-1-yl-8-phenylquinazoline
CID 166801148
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-(3-methyl-4-phenylphenyl)-7-pyridin-4-ylquinazoline
CID 157190490
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
4-naphthalen-2-ylquinazoline
CID 58881337
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline (CID 159038864) is 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3ncnc4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.
What is the InChIKey of 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline?
The InChIKey is FKHCHWKEPVNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-2-7-21(8-3-1)22-13-15-24(16-14-22)30-28-18-17-25(19-29(28)31-20-32-30)27-12-6-10-23-9-4-5-11-26(23)27/h1-20H.
What are the key properties of 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline?
7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline has a molecular weight of 408.50 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 159038864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).