11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran

C34H20O — CID 177072140

IUPAC11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
SMILESc1ccc2cc3c(ccc4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cc43)cc2c1
InChIInChI=1S/C34H20O/c1-2-8-24-19-30-25(18-23(24)7-1)14-12-22-13-15-26(20-29(22)30)28-10-5-11-31-34(28)33-27-9-4-3-6-21(27)16-17-32(33)35-31/h1-20H
InChIKeyRADYTSJDWJNFNO-UHFFFAOYSA-N
MW444.53 g/mol
LogP9.87
Rot. Bonds1

About 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran

11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran (PubChem CID 177072140) has the molecular formula C34H20O and a molecular weight of 444.53 g/mol. Its IUPAC name is 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
PubChem CID177072140
Molecular FormulaC34H20O
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
SMILESc1ccc2cc3c(ccc4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cc43)cc2c1
InChIInChI=1S/C34H20O/c1-2-8-24-19-30-25(18-23(24)7-1)14-12-22-13-15-26(20-29(22)30)28-10-5-11-31-34(28)33-27-9-4-3-6-21(27)16-17-32(33)35-31/h1-20H
InChIKeyRADYTSJDWJNFNO-UHFFFAOYSA-N
XLogP9.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174273057
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831080
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
11-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831072
11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 177072144
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
CID 164799886
CID 164799886
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164830768
11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319

Frequently Asked Questions

What is the IUPAC name of 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran (CID 177072140) is 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran is c1ccc2cc3c(ccc4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cc43)cc2c1.
What is the InChIKey of 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran?
The InChIKey is RADYTSJDWJNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O/c1-2-8-24-19-30-25(18-23(24)7-1)14-12-22-13-15-26(20-29(22)30)28-10-5-11-31-34(28)33-27-9-4-3-6-21(27)16-17-32(33)35-31/h1-20H.
What are the key properties of 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran?
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran has a molecular weight of 444.53 g/mol, XLogP of 9.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 177072140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).