2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline

C42H26N2O — CID 155326617

IUPAC2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccc6c7ccccc7oc6c45)c4ccccc4n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-27(13-4-1)31-24-23-30(26-36(31)28-14-5-2-6-15-28)42-43-37-20-9-7-18-34(37)40(44-42)35-19-11-16-29-22-25-33-32-17-8-10-21-38(32)45-41(33)39(29)35/h1-26H
InChIKeyCRWRRJPBMMWDRO-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline

2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline (PubChem CID 155326617) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline.

Molecular Properties

Compound Name2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
PubChem CID155326617
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccc6c7ccccc7oc6c45)c4ccccc4n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-27(13-4-1)31-24-23-30(26-36(31)28-14-5-2-6-15-28)42-43-37-20-9-7-18-34(37)40(44-42)35-19-11-16-29-22-25-33-32-17-8-10-21-38(32)45-41(33)39(29)35/h1-26H
InChIKeyCRWRRJPBMMWDRO-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
CID 169048979
2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169048923
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(4-phenylphenyl)-4-[6-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]-1,3,5-triazine
CID 139441712
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
12-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149698
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
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
CID 134217963
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline?
The IUPAC name of 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline (CID 155326617) is 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline.
What is the SMILES notation for 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline?
The canonical SMILES for 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc5ccc6c7ccccc7oc6c45)c4ccccc4n3)cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline?
The InChIKey is CRWRRJPBMMWDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-12-27(13-4-1)31-24-23-30(26-36(31)28-14-5-2-6-15-28)42-43-37-20-9-7-18-34(37)40(44-42)35-19-11-16-29-22-25-33-32-17-8-10-21-38(32)45-41(33)39(29)35/h1-26H.
What are the key properties of 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline?
2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline is sourced from PubChem (CID 155326617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).