9,10-bis(2-naphthalen-1-ylphenyl)anthracene

C46H30 — CID 22138017

IUPAC9,10-bis(2-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H30/c1-3-19-33-31(15-1)17-13-29-35(33)37-21-5-7-23-39(37)45-41-25-9-11-27-43(41)46(44-28-12-10-26-42(44)45)40-24-8-6-22-38(40)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H
InChIKeyNKEZXXDRXPPROK-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9,10-bis(2-naphthalen-1-ylphenyl)anthracene

9,10-bis(2-naphthalen-1-ylphenyl)anthracene (PubChem CID 22138017) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9,10-bis(2-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(2-naphthalen-1-ylphenyl)anthracene
PubChem CID22138017
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9,10-bis(2-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H30/c1-3-19-33-31(15-1)17-13-29-35(33)37-21-5-7-23-39(37)45-41-25-9-11-27-43(41)46(44-28-12-10-26-42(44)45)40-24-8-6-22-38(40)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H
InChIKeyNKEZXXDRXPPROK-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-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 167405368

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9,10-bis(2-naphthalen-1-ylphenyl)anthracene (CID 22138017) is 9,10-bis(2-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9,10-bis(2-naphthalen-1-ylphenyl)anthracene is c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The InChIKey is NKEZXXDRXPPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-19-33-31(15-1)17-13-29-35(33)37-21-5-7-23-39(37)45-41-25-9-11-27-43(41)46(44-28-12-10-26-42(44)45)40-24-8-6-22-38(40)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H.
What are the key properties of 9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
9,10-bis(2-naphthalen-1-ylphenyl)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 9,10-bis(2-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 22138017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).