10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C46H28O — CID 135183312

IUPAC10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5c7ccccc7ccc65)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28O/c1-2-12-33-28-34(25-22-29(33)10-1)30-20-23-32(24-21-30)43-36-14-5-7-16-38(36)44(39-17-8-6-15-37(39)43)42-19-9-18-40-41-27-26-31-11-3-4-13-35(31)45(41)47-46(40)42/h1-28H
InChIKeyYZSWOUPUZRNKDX-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 135183312) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID135183312
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5c7ccccc7ccc65)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28O/c1-2-12-33-28-34(25-22-29(33)10-1)30-20-23-32(24-21-30)43-36-14-5-7-16-38(36)44(39-17-8-6-15-37(39)43)42-19-9-18-40-41-27-26-31-11-3-4-13-35(31)45(41)47-46(40)42/h1-28H
InChIKeyYZSWOUPUZRNKDX-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
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

4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 171421116
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 164737873
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603
1,2,3,4-tetradeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 176786276
17-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 130188634

Frequently Asked Questions

What is the IUPAC name of 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 135183312) is 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5c7ccccc7ccc65)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is YZSWOUPUZRNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-12-33-28-34(25-22-29(33)10-1)30-20-23-32(24-21-30)43-36-14-5-7-16-38(36)44(39-17-8-6-15-37(39)43)42-19-9-18-40-41-27-26-31-11-3-4-13-35(31)45(41)47-46(40)42/h1-28H.
What are the key properties of 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 135183312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).