2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane

C24H24 — CID 13215505

IUPAC2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane
SMILESCC12C3CCC4C5C3C1(C)C5(c1ccccc1)C42c1ccccc1
InChIInChI=1S/C24H24/c1-21-17-13-14-18-20-19(17)22(21,2)24(20,16-11-7-4-8-12-16)23(18,21)15-9-5-3-6-10-15/h3-12,17-20H,13-14H2,1-2H3
InChIKeyPLNNYUGHQBQQII-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.19
Rot. Bonds2

About 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane

2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane (PubChem CID 13215505) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane.

Molecular Properties

Compound Name2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane
PubChem CID13215505
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane
SMILESCC12C3CCC4C5C3C1(C)C5(c1ccccc1)C42c1ccccc1
InChIInChI=1S/C24H24/c1-21-17-13-14-18-20-19(17)22(21,2)24(20,16-11-7-4-8-12-16)23(18,21)15-9-5-3-6-10-15/h3-12,17-20H,13-14H2,1-2H3
InChIKeyPLNNYUGHQBQQII-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-Phenyladamantane
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1,1',1'',1'''-Methanetetrayltetrakis(benzene)
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1,1'-Biphenyl, 4-ethyl-4'-(4-propylcyclohexyl)-, trans-
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4,4'-Bis(trans-4-propylcyclohexyl)biphenyl
CID 634081
(trans(trans))-4-(4-Pentylcyclohexyl)-4'-(4-propylcyclohexyl)biphenyl
CID 634748
Benzene, 1,1',1''-(1,3,5,5-tetramethyl-1-pentene-1,3,5-triyl)tris-
CID 86847
4,6-Dimethyl-2,4,6-triphenyl-1-heptene
CID 112502

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane?
The IUPAC name of 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane (CID 13215505) is 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane.
What is the SMILES notation for 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane?
The canonical SMILES for 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane is CC12C3CCC4C5C3C1(C)C5(c1ccccc1)C42c1ccccc1.
What is the InChIKey of 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane?
The InChIKey is PLNNYUGHQBQQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-21-17-13-14-18-20-19(17)22(21,2)24(20,16-11-7-4-8-12-16)23(18,21)15-9-5-3-6-10-15/h3-12,17-20H,13-14H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane?
2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane has a molecular weight of 312.46 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane is sourced from PubChem (CID 13215505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).