9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene

C52H42 — CID 59861453

IUPAC9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene
SMILESCC(C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)c4ccccc4)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C52H42/c1-51(2,35-19-7-5-8-20-35)47-33-31-45(37-23-11-13-25-39(37)47)49-41-27-15-17-29-43(41)50(44-30-18-16-28-42(44)49)46-32-34-48(40-26-14-12-24-38(40)46)52(3,4)36-21-9-6-10-22-36/h5-34H,1-4H3
InChIKeyFYJDFWKEFTYCLI-UHFFFAOYSA-N
MW666.91 g/mol
LogP14.29
Rot. Bonds6

About 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene

9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene (PubChem CID 59861453) has the molecular formula C52H42 and a molecular weight of 666.91 g/mol. Its IUPAC name is 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene
PubChem CID59861453
Molecular FormulaC52H42
Molecular Weight666.91 g/mol
Exact Mass666.33
IUPAC Name9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene
SMILESCC(C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)c4ccccc4)c4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C52H42/c1-51(2,35-19-7-5-8-20-35)47-33-31-45(37-23-11-13-25-39(37)47)49-41-27-15-17-29-43(41)50(44-30-18-16-28-42(44)49)46-32-34-48(40-26-14-12-24-38(40)46)52(3,4)36-21-9-6-10-22-36/h5-34H,1-4H3
InChIKeyFYJDFWKEFTYCLI-UHFFFAOYSA-N
XLogP14.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.91
LogP ≤ 514.29
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

2-phenylpropan-2-ylbenzene
CID 13065
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
CID 171375456
CID 171375456
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-phenyl-3,4-bis(2-phenylpropan-2-yl)benzenethiol
CID 175031747
4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol
CID 168820240
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene?
The IUPAC name of 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene (CID 59861453) is 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene is CC(C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)c4ccccc4)c4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene?
The InChIKey is FYJDFWKEFTYCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42/c1-51(2,35-19-7-5-8-20-35)47-33-31-45(37-23-11-13-25-39(37)47)49-41-27-15-17-29-43(41)50(44-30-18-16-28-42(44)49)46-32-34-48(40-26-14-12-24-38(40)46)52(3,4)36-21-9-6-10-22-36/h5-34H,1-4H3.
What are the key properties of 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene?
9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene has a molecular weight of 666.91 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-(2-phenylpropan-2-yl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 59861453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).