6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C42H26O — CID 88568939

IUPAC6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-14-27(15-3-1)29-17-6-7-20-32(29)39-33-21-8-10-23-35(33)40(36-24-11-9-22-34(36)39)41-30-18-5-4-16-28(30)26-37-31-19-12-13-25-38(31)43-42(37)41/h1-26H
InChIKeyPFFJTLUZELVNTO-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 88568939) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID88568939
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-14-27(15-3-1)29-17-6-7-20-32(29)39-33-21-8-10-23-35(33)40(36-24-11-9-22-34(36)39)41-30-18-5-4-16-28(30)26-37-31-19-12-13-25-38(31)43-42(37)41/h1-26H
InChIKeyPFFJTLUZELVNTO-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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

6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146588752
10-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176743072
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;10-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 167647268
6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran
CID 155334904
4-[2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran;6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 163848435
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 163549748
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
4-anthracen-9-yldibenzofuran
CID 167187282
4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 163656453

Frequently Asked Questions

What is the IUPAC name of 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 88568939) is 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is PFFJTLUZELVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-14-27(15-3-1)29-17-6-7-20-32(29)39-33-21-8-10-23-35(33)40(36-24-11-9-22-34(36)39)41-30-18-5-4-16-28(30)26-37-31-19-12-13-25-38(31)43-42(37)41/h1-26H.
What are the key properties of 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 88568939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).