2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C42H26O — CID 90433351

IUPAC2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-10-28(11-3-1)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)29-20-18-27(19-21-29)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26H
InChIKeyRXEGRQDVLUHZPX-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 90433351) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID90433351
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-10-28(11-3-1)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)29-20-18-27(19-21-29)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26H
InChIKeyRXEGRQDVLUHZPX-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

2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
CID 165025337
CID 165025337
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[10-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 90433351) is 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is RXEGRQDVLUHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-10-28(11-3-1)41-33-14-6-8-16-35(33)42(36-17-9-7-15-34(36)41)29-20-18-27(19-21-29)32-22-23-39-37(25-32)38-24-30-12-4-5-13-31(30)26-40(38)43-39/h1-26H.
What are the key properties of 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
2-[4-(10-phenylanthracen-9-yl)phenyl]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 2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 90433351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).