ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene

C42H46 — CID 91401240

IUPACethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
SMILESCC.CC.CC.CC.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C34H22.4C2H6/c1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28;4*1-2/h1-22H;4*1-2H3
InChIKeyDEBFLSZPCSOFDH-UHFFFAOYSA-N
MW550.83 g/mol
LogP13.74
Rot. Bonds2

About ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene

ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene (PubChem CID 91401240) has the molecular formula C42H46 and a molecular weight of 550.83 g/mol. Its IUPAC name is ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Nameethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
PubChem CID91401240
Molecular FormulaC42H46
Molecular Weight550.83 g/mol
Exact Mass550.36
IUPAC Nameethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
SMILESCC.CC.CC.CC.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C34H22.4C2H6/c1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28;4*1-2/h1-22H;4*1-2H3
InChIKeyDEBFLSZPCSOFDH-UHFFFAOYSA-N
XLogP13.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 513.74
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-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
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-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170

Frequently Asked Questions

What is the IUPAC name of ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?
The IUPAC name of ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene (CID 91401240) is ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene.
What is the SMILES notation for ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?
The canonical SMILES for ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene is CC.CC.CC.CC.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?
The InChIKey is DEBFLSZPCSOFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22.4C2H6/c1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28;4*1-2/h1-22H;4*1-2H3.
What are the key properties of ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene has a molecular weight of 550.83 g/mol, XLogP of 13.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 91401240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).