tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane

C41H47P — CID 178070741

IUPACtritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane
SMILESCC(C)(C)P(=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C41H47P/c1-39(2,3)42(40(4,5)6,41(7,8)9)38-36(32-26-18-12-19-27-32)34(30-22-14-10-15-23-30)35(31-24-16-11-17-25-31)37(38)33-28-20-13-21-29-33/h10-29H,1-9H3
InChIKeyVLJBOCIIIDAJCF-UHFFFAOYSA-N
MW570.80 g/mol
LogP11.81
Rot. Bonds4

About tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane

tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane (PubChem CID 178070741) has the molecular formula C41H47P and a molecular weight of 570.80 g/mol. Its IUPAC name is tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane.

Molecular Properties

Compound Nametritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane
PubChem CID178070741
Molecular FormulaC41H47P
Molecular Weight570.80 g/mol
Exact Mass570.34
IUPAC Nametritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane
SMILESCC(C)(C)P(=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C41H47P/c1-39(2,3)42(40(4,5)6,41(7,8)9)38-36(32-26-18-12-19-27-32)34(30-22-14-10-15-23-30)35(31-24-16-11-17-25-31)37(38)33-28-20-13-21-29-33/h10-29H,1-9H3
InChIKeyVLJBOCIIIDAJCF-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
CID 24862664
CID 24862664
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
CID 101263165
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
tert-butyl-[5-[tert-butyl(dimethyl)silyl]-3,4-diphenyl-1λ2-plumbol-2-yl]-dimethylsilane
CID 177401963
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane?
The IUPAC name of tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane (CID 178070741) is tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane.
What is the SMILES notation for tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane?
The canonical SMILES for tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane is CC(C)(C)P(=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane?
The InChIKey is VLJBOCIIIDAJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47P/c1-39(2,3)42(40(4,5)6,41(7,8)9)38-36(32-26-18-12-19-27-32)34(30-22-14-10-15-23-30)35(31-24-16-11-17-25-31)37(38)33-28-20-13-21-29-33/h10-29H,1-9H3.
What are the key properties of tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane?
tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane has a molecular weight of 570.80 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane is sourced from PubChem (CID 178070741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).