2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline

C46H28N2O — CID 155326671

IUPAC2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8c9ccccc9oc8c7c6)cc5)c5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/C46H28N2O/c1-2-8-35-27-36(23-17-29(35)7-1)30-15-21-34(22-16-30)46-47-42-11-5-3-10-40(42)44(48-46)33-19-13-31(14-20-33)37-24-18-32-25-26-39-38-9-4-6-12-43(38)49-45(39)41(32)28-37/h1-28H
InChIKeyAPEOKYRTRKAAAO-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline

2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline (PubChem CID 155326671) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
PubChem CID155326671
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8c9ccccc9oc8c7c6)cc5)c5ccccc5n4)cc3)ccc2c1
InChIInChI=1S/C46H28N2O/c1-2-8-35-27-36(23-17-29(35)7-1)30-15-21-34(22-16-30)46-47-42-11-5-3-10-40(42)44(48-46)33-19-13-31(14-20-33)37-24-18-32-25-26-39-38-9-4-6-12-43(38)49-45(39)41(32)28-37/h1-28H
InChIKeyAPEOKYRTRKAAAO-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
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-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
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-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-[6-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4-phenylquinazoline
CID 169048982

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline (CID 155326671) is 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline is c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8c9ccccc9oc8c7c6)cc5)c5ccccc5n4)cc3)ccc2c1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline?
The InChIKey is APEOKYRTRKAAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-8-35-27-36(23-17-29(35)7-1)30-15-21-34(22-16-30)46-47-42-11-5-3-10-40(42)44(48-46)33-19-13-31(14-20-33)37-24-18-32-25-26-39-38-9-4-6-12-43(38)49-45(39)41(32)28-37/h1-28H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline?
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline is sourced from PubChem (CID 155326671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).