2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane

C24H21P — CID 139044173

IUPAC2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P=c2c3ccccc3ccc3ccccc23)c(C)c1
InChIInChI=1S/C24H21P/c1-16-14-17(2)23(18(3)15-16)25-24-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)24/h4-15H,1-3H3
InChIKeyVJJILLYYLIVNDD-UHFFFAOYSA-N
MW340.41 g/mol
LogP6.72
Rot. Bonds1

About 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane

2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane (PubChem CID 139044173) has the molecular formula C24H21P and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Name2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane
PubChem CID139044173
Molecular FormulaC24H21P
Molecular Weight340.41 g/mol
Exact Mass340.14
IUPAC Name2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P=c2c3ccccc3ccc3ccccc23)c(C)c1
InChIInChI=1S/C24H21P/c1-16-14-17(2)23(18(3)15-16)25-24-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)24/h4-15H,1-3H3
InChIKeyVJJILLYYLIVNDD-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.41
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,3,10-trimethylphenanthrene
CID 12996190
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
31-(2,4,6-trimethylphenyl)heptacyclo[25.3.1.112,16.05,30.08,13.015,20.023,28]dotriaconta-1(31),2,4,6,8,10,12(32),13,15(20),16,18,21,23(28),24,26,29-hexadecaene
CID 102432922
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
CID 20689823

Frequently Asked Questions

What is the IUPAC name of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane (CID 139044173) is 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P=c2c3ccccc3ccc3ccccc23)c(C)c1.
What is the InChIKey of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is VJJILLYYLIVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21P/c1-16-14-17(2)23(18(3)15-16)25-24-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)24/h4-15H,1-3H3.
What are the key properties of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane?
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 340.41 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 139044173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).