[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

C33H33P — CID 157063230

IUPAC[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESCc1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C33H33P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-7,14-17,20-23H,8-13,18-19H2,1H3
InChIKeySHHMHDRMAKTOTM-UHFFFAOYSA-N
MW460.60 g/mol
LogP7.18
Rot. Bonds4

About [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (PubChem CID 157063230) has the molecular formula C33H33P and a molecular weight of 460.60 g/mol. Its IUPAC name is [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
PubChem CID157063230
Molecular FormulaC33H33P
Molecular Weight460.60 g/mol
Exact Mass460.23
IUPAC Name[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
SMILESCc1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C33H33P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-7,14-17,20-23H,8-13,18-19H2,1H3
InChIKeySHHMHDRMAKTOTM-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 57.18
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

bis([1-[2-bis(3-methylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3-methylphenyl)phosphane);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 158761119
[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 45258076
bis((1Z,5Z)-cycloocta-1,5-diene);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 135084830
[1-(6-diphenylphosphanyl-2,3-diethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 58567960
chlororuthenium(1+);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylcyclohexane;chloride
CID 117064377
1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 11376230
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
CID 134992051
(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
(5-diphenylphosphanyl-1-methyl-9H-xanthen-4-yl)-diphenylphosphane
CID 141077490
[1-[(1R)-2-bis(4-methylphenyl)phosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(4-methylphenyl)phosphane
CID 59574949
[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 134863950

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane (CID 157063230) is [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is Cc1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2.
What is the InChIKey of [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
The InChIKey is SHHMHDRMAKTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33P/c1-24-20-21-25-12-8-10-18-29(25)32(24)33-30-19-11-9-13-26(30)22-23-31(33)34(27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-7,14-17,20-23H,8-13,18-19H2,1H3.
What are the key properties of [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane?
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane has a molecular weight of 460.60 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 157063230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).