2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran

C44H26O — CID 170150575

IUPAC2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc5ccc6ccc(-c7ccc8ccccc8c7)c7ccc4c5c67)cc23)cc1
InChIInChI=1S/C44H26O/c1-2-8-28(9-3-1)36-11-6-12-39-40-26-33(19-24-41(40)45-44(36)39)35-21-18-30-15-14-29-17-20-34(37-22-23-38(35)43(30)42(29)37)32-16-13-27-7-4-5-10-31(27)25-32/h1-26H
InChIKeyRGMFZVNRGNGHNP-UHFFFAOYSA-N
MW570.69 g/mol
LogP12.64
Rot. Bonds3

About 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran

2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran (PubChem CID 170150575) has the molecular formula C44H26O and a molecular weight of 570.69 g/mol. Its IUPAC name is 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran.

Molecular Properties

Compound Name2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
PubChem CID170150575
Molecular FormulaC44H26O
Molecular Weight570.69 g/mol
Exact Mass570.20
IUPAC Name2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc5ccc6ccc(-c7ccc8ccccc8c7)c7ccc4c5c67)cc23)cc1
InChIInChI=1S/C44H26O/c1-2-8-28(9-3-1)36-11-6-12-39-40-26-33(19-24-41(40)45-44(36)39)35-21-18-30-15-14-29-17-20-34(37-22-23-38(35)43(30)42(29)37)32-16-13-27-7-4-5-10-31(27)25-32/h1-26H
InChIKeyRGMFZVNRGNGHNP-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 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran 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

6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
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-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran?
The IUPAC name of 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran (CID 170150575) is 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran.
What is the SMILES notation for 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran?
The canonical SMILES for 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran is c1ccc(-c2cccc3c2oc2ccc(-c4ccc5ccc6ccc(-c7ccc8ccccc8c7)c7ccc4c5c67)cc23)cc1.
What is the InChIKey of 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran?
The InChIKey is RGMFZVNRGNGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O/c1-2-8-28(9-3-1)36-11-6-12-39-40-26-33(19-24-41(40)45-44(36)39)35-21-18-30-15-14-29-17-20-34(37-22-23-38(35)43(30)42(29)37)32-16-13-27-7-4-5-10-31(27)25-32/h1-26H.
What are the key properties of 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran?
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran 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 2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran is sourced from PubChem (CID 170150575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).