2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran

C42H26O — CID 174307066

IUPAC2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
SMILESc1ccc(-c2ccc3c(-c4cc5c(ccc6ccccc65)o4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C42H26O/c1-2-10-27(11-3-1)31-20-22-36-38(25-31)41(32-19-18-28-12-4-5-14-30(28)24-32)34-16-8-9-17-35(34)42(36)40-26-37-33-15-7-6-13-29(33)21-23-39(37)43-40/h1-26H
InChIKeyADTWMOCLCBIRKC-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran

2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran (PubChem CID 174307066) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
PubChem CID174307066
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
SMILESc1ccc(-c2ccc3c(-c4cc5c(ccc6ccccc65)o4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C42H26O/c1-2-10-27(11-3-1)31-20-22-36-38(25-31)41(32-19-18-28-12-4-5-14-30(28)24-32)34-16-8-9-17-35(34)42(36)40-26-37-33-15-7-6-13-29(33)21-23-39(37)43-40/h1-26H
InChIKeyADTWMOCLCBIRKC-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-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
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
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
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-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
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-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159706352
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(2,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)dibenzofuran;2-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 167547924
8-(2,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2-methyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 161162525
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The IUPAC name of 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran (CID 174307066) is 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran.
What is the SMILES notation for 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The canonical SMILES for 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran is c1ccc(-c2ccc3c(-c4cc5c(ccc6ccccc65)o4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The InChIKey is ADTWMOCLCBIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-10-27(11-3-1)31-20-22-36-38(25-31)41(32-19-18-28-12-4-5-14-30(28)24-32)34-16-8-9-17-35(34)42(36)40-26-37-33-15-7-6-13-29(33)21-23-39(37)43-40/h1-26H.
What are the key properties of 2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran?
2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][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-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran is sourced from PubChem (CID 174307066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).