(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane

C30H38P- — CID 101398436

IUPAC(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1c[c-]c(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H38P/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-20H,1-9H3/q-1
InChIKeyMMHYUHUCUHUKCT-UHFFFAOYSA-N
MW429.61 g/mol
LogP7.14
Rot. Bonds3

About (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane

(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane (PubChem CID 101398436) has the molecular formula C30H38P- and a molecular weight of 429.61 g/mol. Its IUPAC name is (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane.

Molecular Properties

Compound Name(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane
PubChem CID101398436
Molecular FormulaC30H38P-
Molecular Weight429.61 g/mol
Exact Mass429.27
IUPAC Name(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1c[c-]c(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H38P/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-20H,1-9H3/q-1
InChIKeyMMHYUHUCUHUKCT-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-dioxidophosphane
CID 19091532
bis(4-tert-butylphenyl)phosphanylboranuide
CID 162185913
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
1-(4-tert-butylbenzene-6-id-1-yl)-3-(4-tert-butylphenyl)-2H-benzimidazol-2-ylium;iridium
CID 58986766
1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;tris(4-tert-butylphenyl)phosphane
CID 171922881
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(4-tert-butylphenyl)phosphanium bromide
CID 19005227
(4-tert-butylphenyl)-dicyclopentylphosphane
CID 118057418
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
CID 151425397

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane?
The IUPAC name of (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane (CID 101398436) is (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane.
What is the SMILES notation for (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane?
The canonical SMILES for (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane is CC(C)(C)c1c[c-]c(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane?
The InChIKey is MMHYUHUCUHUKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38P/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-20H,1-9H3/q-1.
What are the key properties of (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane?
(4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane has a molecular weight of 429.61 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylbenzene-6-id-1-yl)-bis(4-tert-butylphenyl)phosphane is sourced from PubChem (CID 101398436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).