[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane

C60H63N2P — CID 175419441

IUPAC[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C1C=CC=CC1P(=C1C=C(c2ccccc2)c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H63N2P/c1-41(2)48-33-22-34-49(42(3)4)58(48)61-38-39-62(59-50(43(5)6)35-23-36-51(59)44(7)8)60(61)54-32-20-21-37-56(54)63(46-26-14-10-15-27-46,47-28-16-11-17-29-47)57-40-55(45-24-12-9-13-25-45)52-30-18-19-31-53(52)57/h9-37,40-44,56H,38-39H2,1-8H3
InChIKeyZFXBFPGGGUTEPC-UHFFFAOYSA-N
MW843.15 g/mol
LogP14.55
Rot. Bonds10

About [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane

[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane (PubChem CID 175419441) has the molecular formula C60H63N2P and a molecular weight of 843.15 g/mol. Its IUPAC name is [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane.

Molecular Properties

Compound Name[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
PubChem CID175419441
Molecular FormulaC60H63N2P
Molecular Weight843.15 g/mol
Exact Mass842.47
IUPAC Name[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C1C=CC=CC1P(=C1C=C(c2ccccc2)c2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H63N2P/c1-41(2)48-33-22-34-49(42(3)4)58(48)61-38-39-62(59-50(43(5)6)35-23-36-51(59)44(7)8)60(61)54-32-20-21-37-56(54)63(46-26-14-10-15-27-46,47-28-16-11-17-29-47)57-40-55(45-24-12-9-13-25-45)52-30-18-19-31-53(52)57/h9-37,40-44,56H,38-39H2,1-8H3
InChIKeyZFXBFPGGGUTEPC-UHFFFAOYSA-N
XLogP14.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.15
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The IUPAC name of [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane (CID 175419441) is [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane.
What is the SMILES notation for [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The canonical SMILES for [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C1C=CC=CC1P(=C1C=C(c2ccccc2)c2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The InChIKey is ZFXBFPGGGUTEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H63N2P/c1-41(2)48-33-22-34-49(42(3)4)58(48)61-38-39-62(59-50(43(5)6)35-23-36-51(59)44(7)8)60(61)54-32-20-21-37-56(54)63(46-26-14-10-15-27-46,47-28-16-11-17-29-47)57-40-55(45-24-12-9-13-25-45)52-30-18-19-31-53(52)57/h9-37,40-44,56H,38-39H2,1-8H3.
What are the key properties of [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane has a molecular weight of 843.15 g/mol, XLogP of 14.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane is sourced from PubChem (CID 175419441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).