[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane

C34H38P2 — CID 19367737

IUPAC[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane
SMILESCc1cccc(C(P)(c2cccc(C)c2)C2CCC2C(P)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C34H38P2/c1-23-9-5-13-27(19-23)33(35,28-14-6-10-24(2)20-28)31-17-18-32(31)34(36,29-15-7-11-25(3)21-29)30-16-8-12-26(4)22-30/h5-16,19-22,31-32H,17-18,35-36H2,1-4H3
InChIKeyNJQMZTSLADISPV-UHFFFAOYSA-N
MW508.63 g/mol
LogP8.88
Rot. Bonds6

About [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane

[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane (PubChem CID 19367737) has the molecular formula C34H38P2 and a molecular weight of 508.63 g/mol. Its IUPAC name is [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane.

Molecular Properties

Compound Name[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane
PubChem CID19367737
Molecular FormulaC34H38P2
Molecular Weight508.63 g/mol
Exact Mass508.24
IUPAC Name[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane
SMILESCc1cccc(C(P)(c2cccc(C)c2)C2CCC2C(P)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C34H38P2/c1-23-9-5-13-27(19-23)33(35,28-14-6-10-24(2)20-28)31-17-18-32(31)34(36,29-15-7-11-25(3)21-29)30-16-8-12-26(4)22-30/h5-16,19-22,31-32H,17-18,35-36H2,1-4H3
InChIKeyNJQMZTSLADISPV-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 58.88
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

(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
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CID 163492269
1,1,2-tris(3-methylphenyl)ethylphosphane
CID 155600016
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-3-methylbenzene
CID 64767244
ethane;methylcyclopropane;1,3-xylene
CID 142338532
1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 157132628
benzenethiol;1-tert-butyl-3-methylbenzene
CID 157301000
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
CID 174852031
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493

Frequently Asked Questions

What is the IUPAC name of [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane?
The IUPAC name of [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane (CID 19367737) is [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane.
What is the SMILES notation for [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane?
The canonical SMILES for [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane is Cc1cccc(C(P)(c2cccc(C)c2)C2CCC2C(P)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane?
The InChIKey is NJQMZTSLADISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38P2/c1-23-9-5-13-27(19-23)33(35,28-14-6-10-24(2)20-28)31-17-18-32(31)34(36,29-15-7-11-25(3)21-29)30-16-8-12-26(4)22-30/h5-16,19-22,31-32H,17-18,35-36H2,1-4H3.
What are the key properties of [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane?
[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane has a molecular weight of 508.63 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane is sourced from PubChem (CID 19367737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).