4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline

C48H30N2O — CID 155326605

IUPAC4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccc7c(ccc8c9ccccc9oc78)c6)cc5)c5ccccc5n4)c3)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-2-9-31(10-3-1)32-17-19-33(20-18-32)36-11-8-12-39(30-36)48-49-44-15-6-4-14-43(44)46(50-48)35-23-21-34(22-24-35)37-25-27-40-38(29-37)26-28-42-41-13-5-7-16-45(41)51-47(40)42/h1-30H
InChIKeyGVVSOZGIAMHUPQ-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline

4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline (PubChem CID 155326605) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
PubChem CID155326605
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccc7c(ccc8c9ccccc9oc78)c6)cc5)c5ccccc5n4)c3)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-2-9-31(10-3-1)32-17-19-33(20-18-32)36-11-8-12-39(30-36)48-49-44-15-6-4-14-43(44)46(50-48)35-23-21-34(22-24-35)37-25-27-40-38(29-37)26-28-42-41-13-5-7-16-45(41)51-47(40)42/h1-30H
InChIKeyGVVSOZGIAMHUPQ-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
2-(3-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 155473814
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)quinazoline;2-(3,5-diphenylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)quinazoline;2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)quinazoline
CID 157220046
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 163626676
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-4-phenylquinazoline
CID 134299709
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
14-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123550

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline?
The IUPAC name of 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline (CID 155326605) is 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline.
What is the SMILES notation for 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline?
The canonical SMILES for 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccc7c(ccc8c9ccccc9oc78)c6)cc5)c5ccccc5n4)c3)cc2)cc1.
What is the InChIKey of 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline?
The InChIKey is GVVSOZGIAMHUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-9-31(10-3-1)32-17-19-33(20-18-32)36-11-8-12-39(30-36)48-49-44-15-6-4-14-43(44)46(50-48)35-23-21-34(22-24-35)37-25-27-40-38(29-37)26-28-42-41-13-5-7-16-45(41)51-47(40)42/h1-30H.
What are the key properties of 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline?
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline is sourced from PubChem (CID 155326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).