1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene

C33H48 — CID 175032315

IUPAC1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
SMILESCC(C)c1c(-c2ccccc2)c(C(C)C)c(C2CCCCC2)c(C(C)C)c1C1CCCCC1
InChIInChI=1S/C33H48/c1-22(2)28-31(25-16-10-7-11-17-25)29(23(3)4)33(27-20-14-9-15-21-27)30(24(5)6)32(28)26-18-12-8-13-19-26/h7,10-11,16-17,22-24,26-27H,8-9,12-15,18-21H2,1-6H3
InChIKeyMKEWRXVMFUDHRN-UHFFFAOYSA-N
MW444.75 g/mol
LogP10.82
Rot. Bonds6

About 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene

1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene (PubChem CID 175032315) has the molecular formula C33H48 and a molecular weight of 444.75 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
PubChem CID175032315
Molecular FormulaC33H48
Molecular Weight444.75 g/mol
Exact Mass444.38
IUPAC Name1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
SMILESCC(C)c1c(-c2ccccc2)c(C(C)C)c(C2CCCCC2)c(C(C)C)c1C1CCCCC1
InChIInChI=1S/C33H48/c1-22(2)28-31(25-16-10-7-11-17-25)29(23(3)4)33(27-20-14-9-15-21-27)30(24(5)6)32(28)26-18-12-8-13-19-26/h7,10-11,16-17,22-24,26-27H,8-9,12-15,18-21H2,1-6H3
InChIKeyMKEWRXVMFUDHRN-UHFFFAOYSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889
Dibenzo(a,i)pyrene
CID 9106
Dibenzo(a,h)pyrene
CID 9108

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene?
The IUPAC name of 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene (CID 175032315) is 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene.
What is the SMILES notation for 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene?
The canonical SMILES for 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene is CC(C)c1c(-c2ccccc2)c(C(C)C)c(C2CCCCC2)c(C(C)C)c1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene?
The InChIKey is MKEWRXVMFUDHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48/c1-22(2)28-31(25-16-10-7-11-17-25)29(23(3)4)33(27-20-14-9-15-21-27)30(24(5)6)32(28)26-18-12-8-13-19-26/h7,10-11,16-17,22-24,26-27H,8-9,12-15,18-21H2,1-6H3.
What are the key properties of 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene?
1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene has a molecular weight of 444.75 g/mol, XLogP of 10.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene is sourced from PubChem (CID 175032315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).