1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene

C50H32 — CID 164708782

IUPAC1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5cc6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-2-14-38-29-39(28-27-33(38)11-1)34-23-25-35(26-24-34)41-31-47(45-21-9-16-36-12-3-6-18-42(36)45)48-30-40-15-5-8-20-44(40)50(49(48)32-41)46-22-10-17-37-13-4-7-19-43(37)46/h1-32H
InChIKeyFPHRCECVKPYSKA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene

1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 164708782) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID164708782
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5cc6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-2-14-38-29-39(28-27-33(38)11-1)34-23-25-35(26-24-34)41-31-47(45-21-9-16-36-12-3-6-18-42(36)45)48-30-40-15-5-8-20-44(40)50(49(48)32-41)46-22-10-17-37-13-4-7-19-43(37)46/h1-32H
InChIKeyFPHRCECVKPYSKA-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169

Frequently Asked Questions

What is the IUPAC name of 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene (CID 164708782) is 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene is c1ccc2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)c5cc6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)ccc2c1.
What is the InChIKey of 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is FPHRCECVKPYSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-38-29-39(28-27-33(38)11-1)34-23-25-35(26-24-34)41-31-47(45-21-9-16-36-12-3-6-18-42(36)45)48-30-40-15-5-8-20-44(40)50(49(48)32-41)46-22-10-17-37-13-4-7-19-43(37)46/h1-32H.
What are the key properties of 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene?
1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dinaphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 164708782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).