3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran

C38H24O — CID 174307075

IUPAC3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3coc4cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C38H24O/c1-2-12-25(13-3-1)28-16-6-7-17-29(28)37-30-18-8-10-20-32(30)38(33-21-11-9-19-31(33)37)35-24-39-36-23-27-15-5-4-14-26(27)22-34(35)36/h1-24H
InChIKeyWIKMQLLAQQDSDW-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.89
Rot. Bonds3

About 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran

3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran (PubChem CID 174307075) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran.

Molecular Properties

Compound Name3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran
PubChem CID174307075
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3coc4cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C38H24O/c1-2-12-25(13-3-1)28-16-6-7-17-29(28)37-30-18-8-10-20-32(30)38(33-21-11-9-19-31(33)37)35-24-39-36-23-27-15-5-4-14-26(27)22-34(35)36/h1-24H
InChIKeyWIKMQLLAQQDSDW-UHFFFAOYSA-N
XLogP10.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176742770
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 88568939
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
15,16,17,18,21-pentadeuterio-20-[10-(2-phenylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 176840818
3-[2-(10-naphtho[2,3-b][1]benzothiol-1-ylanthracen-9-yl)phenyl]-1-benzofuran
CID 170212343
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran?
The IUPAC name of 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran (CID 174307075) is 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran.
What is the SMILES notation for 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran?
The canonical SMILES for 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3coc4cc5ccccc5cc34)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran?
The InChIKey is WIKMQLLAQQDSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-2-12-25(13-3-1)28-16-6-7-17-29(28)37-30-18-8-10-20-32(30)38(33-21-11-9-19-31(33)37)35-24-39-36-23-27-15-5-4-14-26(27)22-34(35)36/h1-24H.
What are the key properties of 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran?
3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran has a molecular weight of 496.61 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[f][1]benzofuran is sourced from PubChem (CID 174307075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).