10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene

C48H32 — CID 58322889

IUPAC10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1
InChIInChI=1S/C48H32/c1-3-13-33(14-4-1)35-25-29-38(30-26-35)41-22-12-24-45-47(42-23-11-18-37-17-7-8-19-40(37)42)44-21-10-9-20-43(44)46(48(41)45)39-31-27-36(28-32-39)34-15-5-2-6-16-34/h1-32H
InChIKeySUGRTRLZMGTSOM-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.48
Rot. Bonds5

About 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene

10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene (PubChem CID 58322889) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
PubChem CID58322889
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1
InChIInChI=1S/C48H32/c1-3-13-33(14-4-1)35-25-29-38(30-26-35)41-22-12-24-45-47(42-23-11-18-37-17-7-8-19-40(37)42)44-21-10-9-20-43(44)46(48(41)45)39-31-27-36(28-32-39)34-15-5-2-6-16-34/h1-32H
InChIKeySUGRTRLZMGTSOM-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.48
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

7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
CID 58535980
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
10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 58323114
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
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
2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 58323116
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene (CID 58322889) is 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene?
The InChIKey is SUGRTRLZMGTSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-3-13-33(14-4-1)35-25-29-38(30-26-35)41-22-12-24-45-47(42-23-11-18-37-17-7-8-19-40(37)42)44-21-10-9-20-43(44)46(48(41)45)39-31-27-36(28-32-39)34-15-5-2-6-16-34/h1-32H.
What are the key properties of 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene?
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene has a molecular weight of 608.78 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene is sourced from PubChem (CID 58322889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).