CID 10941161

C33H43P2 — CID 10941161

IUPAC—
SMILESCc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)P(C2CCCCC2)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H43P2/c1-25-17-21-30(22-18-25)35(31-23-19-26(2)20-24-31)33-16-10-15-32(33)27(3)34(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h10,15-24,27-29H,4-9,11-14H2,1-3H3/t27-/m0/s1
InChIKeyLRTUXVYKXREREO-MHZLTWQESA-N
MW501.66 g/mol
LogP9.00
Rot. Bonds7

About CID 10941161

CID 10941161 (PubChem CID 10941161) has the molecular formula C33H43P2 and a molecular weight of 501.66 g/mol.

Molecular Properties

Compound NameCID 10941161
PubChem CID10941161
Molecular FormulaC33H43P2
Molecular Weight501.66 g/mol
Exact Mass501.28
IUPAC Name—
SMILESCc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)P(C2CCCCC2)C2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H43P2/c1-25-17-21-30(22-18-25)35(31-23-19-26(2)20-24-31)33-16-10-15-32(33)27(3)34(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h10,15-24,27-29H,4-9,11-14H2,1-3H3/t27-/m0/s1
InChIKeyLRTUXVYKXREREO-MHZLTWQESA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.66
LogP ≤ 59.00
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

CID 91844908
CID 91844908
(2S)-1-[(1S)-1-(DICYCLOHEXYLPHOSPHINO)ETHYL]-2-(DIPHENYLPHOSPHINO)FERROCENE
CID 166639520
CID 11621892
CID 11621892
CID 11600484
CID 11600484
(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine
CID 146157439
CID 134991259
CID 134991259
CID 11051045
CID 11051045
CID 11285543
CID 11285543
[4-bis(4-methylphenyl)phosphanyl-2,5-dicyclohexylthiophen-3-yl]-bis(4-methylphenyl)phosphane
CID 170552531
CID 11665272
CID 11665272
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
CID 11593100
CID 11593100

Frequently Asked Questions

What is the IUPAC name of CID 10941161?
The IUPAC name of CID 10941161 (CID 10941161) is not available.
What is the SMILES notation for CID 10941161?
The canonical SMILES for CID 10941161 is Cc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)P(C2CCCCC2)C2CCCCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of CID 10941161?
The InChIKey is LRTUXVYKXREREO-MHZLTWQESA-N. The full InChI is InChI=1S/C33H43P2/c1-25-17-21-30(22-18-25)35(31-23-19-26(2)20-24-31)33-16-10-15-32(33)27(3)34(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h10,15-24,27-29H,4-9,11-14H2,1-3H3/t27-/m0/s1.
What are the key properties of CID 10941161?
CID 10941161 has a molecular weight of 501.66 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10941161 is sourced from PubChem (CID 10941161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).