9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene

C40H26 — CID 140565979

IUPAC9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc2c(-c3ccc(-c4c(-c5c6ccccc6cc6ccccc56)ccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C40H26/c1-5-15-33-27(10-1)14-9-19-34(33)29-20-22-30(23-21-29)39-35-16-6-2-11-28(35)24-25-38(39)40-36-17-7-3-12-31(36)26-32-13-4-8-18-37(32)40/h1-26H
InChIKeyKXVLKWWMTFVKAB-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene

9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene (PubChem CID 140565979) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
PubChem CID140565979
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc2c(-c3ccc(-c4c(-c5c6ccccc6cc6ccccc56)ccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C40H26/c1-5-15-33-27(10-1)14-9-19-34(33)29-20-22-30(23-21-29)39-35-16-6-2-11-28(35)24-25-38(39)40-36-17-7-3-12-31(36)26-32-13-4-8-18-37(32)40/h1-26H
InChIKeyKXVLKWWMTFVKAB-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
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-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2-naphthalen-1-ylanthracene
CID 2748705
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
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
1,2-diphenylnaphthalene
CID 11208267

Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene (CID 140565979) is 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene is c1ccc2c(-c3ccc(-c4c(-c5c6ccccc6cc6ccccc56)ccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is KXVLKWWMTFVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-5-15-33-27(10-1)14-9-19-34(33)29-20-22-30(23-21-29)39-35-16-6-2-11-28(35)24-25-38(39)40-36-17-7-3-12-31(36)26-32-13-4-8-18-37(32)40/h1-26H.
What are the key properties of 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene?
9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 140565979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).