9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene

C47H56 — CID 142358364

IUPAC9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene
SMILESCC(C)c1cc(C(C)C)c(-c2c3ccccc3c(-c3c(C4CCCCC4)cccc3C3CCCCC3)c3ccccc23)c(C(C)C)c1
InChIInChI=1S/C47H56/c1-30(2)35-28-42(31(3)4)47(43(29-35)32(5)6)46-40-24-15-13-22-38(40)45(39-23-14-16-25-41(39)46)44-36(33-18-9-7-10-19-33)26-17-27-37(44)34-20-11-8-12-21-34/h13-17,22-34H,7-12,18-21H2,1-6H3
InChIKeyFDCRCZCAOTXVRW-UHFFFAOYSA-N
MW620.97 g/mol
LogP14.79
Rot. Bonds7

About 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene

9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene (PubChem CID 142358364) has the molecular formula C47H56 and a molecular weight of 620.97 g/mol. Its IUPAC name is 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene
PubChem CID142358364
Molecular FormulaC47H56
Molecular Weight620.97 g/mol
Exact Mass620.44
IUPAC Name9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene
SMILESCC(C)c1cc(C(C)C)c(-c2c3ccccc3c(-c3c(C4CCCCC4)cccc3C3CCCCC3)c3ccccc23)c(C(C)C)c1
InChIInChI=1S/C47H56/c1-30(2)35-28-42(31(3)4)47(43(29-35)32(5)6)46-40-24-15-13-22-38(40)45(39-23-14-16-25-41(39)46)44-36(33-18-9-7-10-19-33)26-17-27-37(44)34-20-11-8-12-21-34/h13-17,22-34H,7-12,18-21H2,1-6H3
InChIKeyFDCRCZCAOTXVRW-UHFFFAOYSA-N
XLogP14.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.97
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene with MolForge

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Related Compounds

2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-(2-cyclohexylphenyl)-4-phenyl-1,3,5-tri(propan-2-yl)benzene
CID 175465233
1,2,4,5-tetrakis(2,6-dicyclohexylphenyl)benzene
CID 176589303
N-(4-cyclohexylphenyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 168771724
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane
CID 175362928
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
1-(2,6-dicyclohexylphenyl)anthracene
CID 141325859
2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene
CID 177211628

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene?
The IUPAC name of 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene (CID 142358364) is 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene.
What is the SMILES notation for 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene?
The canonical SMILES for 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene is CC(C)c1cc(C(C)C)c(-c2c3ccccc3c(-c3c(C4CCCCC4)cccc3C3CCCCC3)c3ccccc23)c(C(C)C)c1.
What is the InChIKey of 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene?
The InChIKey is FDCRCZCAOTXVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56/c1-30(2)35-28-42(31(3)4)47(43(29-35)32(5)6)46-40-24-15-13-22-38(40)45(39-23-14-16-25-41(39)46)44-36(33-18-9-7-10-19-33)26-17-27-37(44)34-20-11-8-12-21-34/h13-17,22-34H,7-12,18-21H2,1-6H3.
What are the key properties of 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene?
9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene has a molecular weight of 620.97 g/mol, XLogP of 14.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene is sourced from PubChem (CID 142358364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).