4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran

C44H26O — CID 174168113

IUPAC4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C44H26O/c1-2-9-28(10-3-1)33-20-16-29-19-23-37-35(21-17-30-18-22-36(33)41(29)42(30)37)38-25-24-34(32-15-14-27-8-4-5-11-31(27)26-32)44-43(38)39-12-6-7-13-40(39)45-44/h1-26H
InChIKeyQBXLPNIOCYNQTJ-UHFFFAOYSA-N
MW570.69 g/mol
LogP12.64
Rot. Bonds3

About 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran

4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran (PubChem CID 174168113) has the molecular formula C44H26O and a molecular weight of 570.69 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran.

Molecular Properties

Compound Name4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
PubChem CID174168113
Molecular FormulaC44H26O
Molecular Weight570.69 g/mol
Exact Mass570.20
IUPAC Name4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C44H26O/c1-2-9-28(10-3-1)33-20-16-29-19-23-37-35(21-17-30-18-22-36(33)41(29)42(30)37)38-25-24-34(32-15-14-27-8-4-5-11-31(27)26-32)44-43(38)39-12-6-7-13-40(39)45-44/h1-26H
InChIKeyQBXLPNIOCYNQTJ-UHFFFAOYSA-N
XLogP12.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
4-benzo[g]phenanthren-3-yl-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940016
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-dibenzofuran-2-yl-8-pyren-1-yldibenzofuran;4-dibenzofuran-2-yl-1-pyren-1-yldibenzofuran;2-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;2-(5-pyren-1-ylnaphthalen-1-yl)dibenzofuran;1-(3-pyren-1-ylphenyl)naphtho[2,3-b][1]benzofuran;7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 160824717
4-benzo[a]anthracen-7-yl-1-(6-naphthalen-2-ylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170940401

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran?
The IUPAC name of 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran (CID 174168113) is 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran.
What is the SMILES notation for 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran?
The canonical SMILES for 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran is c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc5ccc2c3c54)cc1.
What is the InChIKey of 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran?
The InChIKey is QBXLPNIOCYNQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O/c1-2-9-28(10-3-1)33-20-16-29-19-23-37-35(21-17-30-18-22-36(33)41(29)42(30)37)38-25-24-34(32-15-14-27-8-4-5-11-31(27)26-32)44-43(38)39-12-6-7-13-40(39)45-44/h1-26H.
What are the key properties of 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran?
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran has a molecular weight of 570.69 g/mol, XLogP of 12.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran is sourced from PubChem (CID 174168113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).