3,4-diphenyl-2-pyren-1-ylfuran

C32H20O — CID 166509128

IUPAC3,4-diphenyl-2-pyren-1-ylfuran
SMILESc1ccc(-c2coc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccccc2)cc1
InChIInChI=1S/C32H20O/c1-3-8-21(9-4-1)28-20-33-32(31(28)22-10-5-2-6-11-22)27-19-17-25-15-14-23-12-7-13-24-16-18-26(27)30(25)29(23)24/h1-20H
InChIKeyMQLPAECHKRUNKQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP9.18
Rot. Bonds3

About 3,4-diphenyl-2-pyren-1-ylfuran

3,4-diphenyl-2-pyren-1-ylfuran (PubChem CID 166509128) has the molecular formula C32H20O and a molecular weight of 420.51 g/mol. Its IUPAC name is 3,4-diphenyl-2-pyren-1-ylfuran.

Molecular Properties

Compound Name3,4-diphenyl-2-pyren-1-ylfuran
PubChem CID166509128
Molecular FormulaC32H20O
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name3,4-diphenyl-2-pyren-1-ylfuran
SMILESc1ccc(-c2coc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccccc2)cc1
InChIInChI=1S/C32H20O/c1-3-8-21(9-4-1)28-20-33-32(31(28)22-10-5-2-6-11-22)27-19-17-25-15-14-23-12-7-13-24-16-18-26(27)30(25)29(23)24/h1-20H
InChIKeyMQLPAECHKRUNKQ-UHFFFAOYSA-N
XLogP9.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1,8-di(pyren-1-yl)pyrene
CID 58915622
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
CID 158695743

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2-pyren-1-ylfuran?
The IUPAC name of 3,4-diphenyl-2-pyren-1-ylfuran (CID 166509128) is 3,4-diphenyl-2-pyren-1-ylfuran.
What is the SMILES notation for 3,4-diphenyl-2-pyren-1-ylfuran?
The canonical SMILES for 3,4-diphenyl-2-pyren-1-ylfuran is c1ccc(-c2coc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-2-pyren-1-ylfuran?
The InChIKey is MQLPAECHKRUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O/c1-3-8-21(9-4-1)28-20-33-32(31(28)22-10-5-2-6-11-22)27-19-17-25-15-14-23-12-7-13-24-16-18-26(27)30(25)29(23)24/h1-20H.
What are the key properties of 3,4-diphenyl-2-pyren-1-ylfuran?
3,4-diphenyl-2-pyren-1-ylfuran has a molecular weight of 420.51 g/mol, XLogP of 9.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2-pyren-1-ylfuran is sourced from PubChem (CID 166509128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).