9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene

C50H32 — CID 25112576

IUPAC9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)ccc2c1
InChIInChI=1S/C50H32/c1-3-13-38-30-41(26-22-33(38)10-1)49-45-17-7-8-18-46(45)50(42-27-23-34-11-2-4-14-39(34)31-42)48-32-40(28-29-47(48)49)35-20-24-37(25-21-35)44-19-9-15-36-12-5-6-16-43(36)44/h1-32H
InChIKeyRPGFTEMETPWCGH-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene

9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 25112576) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
PubChem CID25112576
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)ccc2c1
InChIInChI=1S/C50H32/c1-3-13-38-30-41(26-22-33(38)10-1)49-45-17-7-8-18-46(45)50(42-27-23-34-11-2-4-14-39(34)31-42)48-32-40(28-29-47(48)49)35-20-24-37(25-21-35)44-19-9-15-36-12-5-6-16-43(36)44/h1-32H
InChIKeyRPGFTEMETPWCGH-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-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene (CID 25112576) is 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)ccc2c1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
The InChIKey is RPGFTEMETPWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-13-38-30-41(26-22-33(38)10-1)49-45-17-7-8-18-46(45)50(42-27-23-34-11-2-4-14-39(34)31-42)48-32-40(28-29-47(48)49)35-20-24-37(25-21-35)44-19-9-15-36-12-5-6-16-43(36)44/h1-32H.
What are the key properties of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene?
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-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 9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 25112576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).