1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene

C50H32 — CID 58322712

IUPAC1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc5ccccc45)c23)c1
InChIInChI=1S/C50H32/c1-4-22-38-33(14-1)17-10-27-41(38)36-20-9-21-37(32-36)48-45-25-7-8-26-46(45)49(43-29-12-19-35-16-3-6-24-40(35)43)47-31-13-30-44(50(47)48)42-28-11-18-34-15-2-5-23-39(34)42/h1-32H
InChIKeySDKWDNXYVOACMA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene

1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 58322712) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
PubChem CID58322712
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc5ccccc45)c23)c1
InChIInChI=1S/C50H32/c1-4-22-38-33(14-1)17-10-27-41(38)36-20-9-21-37(32-36)48-45-25-7-8-26-46(45)49(43-29-12-19-35-16-3-6-24-40(35)43)47-31-13-30-44(50(47)48)42-28-11-18-34-15-2-5-23-39(34)42/h1-32H
InChIKeySDKWDNXYVOACMA-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

9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159156782
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
10-naphthalen-1-yl-1,9-bis(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-1-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 159756226
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
10-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 161483242
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 143896895

Frequently Asked Questions

What is the IUPAC name of 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene (CID 58322712) is 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cccc(-c4cccc5ccccc45)c23)c1.
What is the InChIKey of 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is SDKWDNXYVOACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-4-22-38-33(14-1)17-10-27-41(38)36-20-9-21-37(32-36)48-45-25-7-8-26-46(45)49(43-29-12-19-35-16-3-6-24-40(35)43)47-31-13-30-44(50(47)48)42-28-11-18-34-15-2-5-23-39(34)42/h1-32H.
What are the key properties of 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene?
1,10-dinaphthalen-1-yl-9-(3-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 1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58322712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).