9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene

C46H30 — CID 156677112

IUPAC9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
SMILESc1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C46H30/c1-3-12-31(13-4-1)35-25-22-33-23-27-37(29-38(33)28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)43-21-11-16-34-24-26-36(30-44(34)43)32-14-5-2-6-15-32/h1-30H
InChIKeyXDIUOXRFJJNEJF-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene

9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene (PubChem CID 156677112) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
PubChem CID156677112
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
SMILESc1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C46H30/c1-3-12-31(13-4-1)35-25-22-33-23-27-37(29-38(33)28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)43-21-11-16-34-24-26-36(30-44(34)43)32-14-5-2-6-15-32/h1-30H
InChIKeyXDIUOXRFJJNEJF-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
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
9,10-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
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
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
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
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

Frequently Asked Questions

What is the IUPAC name of 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene (CID 156677112) is 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene is c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccccc7)cc56)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene?
The InChIKey is XDIUOXRFJJNEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-12-31(13-4-1)35-25-22-33-23-27-37(29-38(33)28-35)45-39-17-7-9-19-41(39)46(42-20-10-8-18-40(42)45)43-21-11-16-34-24-26-36(30-44(34)43)32-14-5-2-6-15-32/h1-30H.
What are the key properties of 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene?
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 156677112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).