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

C43H28O — CID 176754857

IUPAC2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C43H28O/c1-2-12-28(13-3-1)33-17-7-6-16-31(33)25-38-34-18-8-10-20-36(34)43(37-21-11-9-19-35(37)38)32-22-23-41-39(26-32)40-24-29-14-4-5-15-30(29)27-42(40)44-41/h1-24,26-27H,25H2
InChIKeySIWNPRLQBPCVNH-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.97
Rot. Bonds4

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

2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 176754857) has the molecular formula C43H28O and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID176754857
Molecular FormulaC43H28O
Molecular Weight560.70 g/mol
Exact Mass560.21
IUPAC Name2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C43H28O/c1-2-12-28(13-3-1)33-17-7-6-16-31(33)25-38-34-18-8-10-20-36(34)43(37-21-11-9-19-35(37)38)32-22-23-41-39(26-32)40-24-29-14-4-5-15-30(29)27-42(40)44-41/h1-24,26-27H,25H2
InChIKeySIWNPRLQBPCVNH-UHFFFAOYSA-N
XLogP11.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.97
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

CID 165025337
CID 165025337
9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177265103
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
6-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176742770
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-(10-phenanthren-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 90433755
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 158405466
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 157306964

Frequently Asked Questions

What is the IUPAC name of 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 176754857) is 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccccc2Cc2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is SIWNPRLQBPCVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O/c1-2-12-28(13-3-1)33-17-7-6-16-31(33)25-38-34-18-8-10-20-36(34)43(37-21-11-9-19-35(37)38)32-22-23-41-39(26-32)40-24-29-14-4-5-15-30(29)27-42(40)44-41/h1-24,26-27H,25H2.
What are the key properties of 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 560.70 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176754857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).