2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium

C42H26N2OV — CID 142619055

IUPAC2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
SMILES[V].c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C42H26N2O.V/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)31-12-8-13-32(25-31)40-37-15-6-7-16-38(37)43-42(44-40)33-22-23-35-36-24-21-30-11-4-5-14-34(30)41(36)45-39(35)26-33;/h1-26H;
InChIKeyAHAJLJZNAIBOEK-UHFFFAOYSA-N
MW625.63 g/mol
LogP11.35
Rot. Bonds4

About 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium

2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium (PubChem CID 142619055) has the molecular formula C42H26N2OV and a molecular weight of 625.63 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
PubChem CID142619055
Molecular FormulaC42H26N2OV
Molecular Weight625.63 g/mol
Exact Mass625.15
IUPAC Name2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
SMILES[V].c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C42H26N2O.V/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)31-12-8-13-32(25-31)40-37-15-6-7-16-38(37)43-42(44-40)33-22-23-35-36-24-21-30-11-4-5-14-34(30)41(36)45-39(35)26-33;/h1-26H;
InChIKeyAHAJLJZNAIBOEK-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.63
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-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
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-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162042107
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium (CID 142619055) is 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium is [V].c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium?
The InChIKey is AHAJLJZNAIBOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O.V/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)31-12-8-13-32(25-31)40-37-15-6-7-16-38(37)43-42(44-40)33-22-23-35-36-24-21-30-11-4-5-14-34(30)41(36)45-39(35)26-33;/h1-26H;.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium?
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium has a molecular weight of 625.63 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-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium is sourced from PubChem (CID 142619055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).