9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene

C46H30 — CID 162702349

IUPAC9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-3-14-32(15-4-1)37-27-28-38(40-20-10-9-19-39(37)40)35-25-26-43-44(30-35)46(36-24-23-31-13-7-8-18-34(31)29-36)42-22-12-11-21-41(42)45(43)33-16-5-2-6-17-33/h1-30H
InChIKeyMQYIHZSEWWFFBQ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene

9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 162702349) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID162702349
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-3-14-32(15-4-1)37-27-28-38(40-20-10-9-19-39(37)40)35-25-26-43-44(30-35)46(36-24-23-31-13-7-8-18-34(31)29-36)42-22-12-11-21-41(42)45(43)33-16-5-2-6-17-33/h1-30H
InChIKeyMQYIHZSEWWFFBQ-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-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
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-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene;9-phenyl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene
CID 160566429
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
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene (CID 162702349) is 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is MQYIHZSEWWFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-14-32(15-4-1)37-27-28-38(40-20-10-9-19-39(37)40)35-25-26-43-44(30-35)46(36-24-23-31-13-7-8-18-34(31)29-36)42-22-12-11-21-41(42)45(43)33-16-5-2-6-17-33/h1-30H.
What are the key properties of 9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene?
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-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-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 162702349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).