CID 11643550

C30H56F6IrP3- — CID 11643550

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1CCP1[C@H](C(C)C)CC[C@H]1C(C)C.F[P-](F)(F)(F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Ir]
InChIInChI=1S/C22H44P2.C8H12.F6P.Ir/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h15-22H,9-14H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;/t19-,20-,21-,22-;;;/m0.../s1
InChIKeyWGNZLWILPWVJQK-OLWBRDMUSA-N
MW815.90 g/mol
LogP13.39
Rot. Bonds7

About CID 11643550

CID 11643550 (PubChem CID 11643550) has the molecular formula C30H56F6IrP3- and a molecular weight of 815.90 g/mol.

Molecular Properties

Compound NameCID 11643550
PubChem CID11643550
Molecular FormulaC30H56F6IrP3-
Molecular Weight815.90 g/mol
Exact Mass816.31
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1CCP1[C@H](C(C)C)CC[C@H]1C(C)C.F[P-](F)(F)(F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Ir]
InChIInChI=1S/C22H44P2.C8H12.F6P.Ir/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h15-22H,9-14H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;/t19-,20-,21-,22-;;;/m0.../s1
InChIKeyWGNZLWILPWVJQK-OLWBRDMUSA-N
XLogP13.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.90
LogP ≤ 513.39
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

(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
CID 172570767
(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
CID 155885072
(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
CID 90716246
(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate
CID 71310758
2-methyl-1,5-di(propan-2-yl)phospholane
CID 146200751
(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
CID 166973641
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
CID 121234215
carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
CID 162281940
bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)
CID 172907917
1,2-difluoro-3-propan-2-ylcyclohexane
CID 140573475
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(10R)-7,9-dimethyl-3,13-di(propan-2-yl)-2,14-diphosphatetracyclo[13.4.0.02,6.010,14]nonadeca-1(19),15,17-triene
CID 166973646

Frequently Asked Questions

What is the IUPAC name of CID 11643550?
The IUPAC name of CID 11643550 (CID 11643550) is not available.
What is the SMILES notation for CID 11643550?
The canonical SMILES for CID 11643550 is CC(C)[C@@H]1CC[C@@H](C(C)C)P1CCP1[C@H](C(C)C)CC[C@H]1C(C)C.F[P-](F)(F)(F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Ir].
What is the InChIKey of CID 11643550?
The InChIKey is WGNZLWILPWVJQK-OLWBRDMUSA-N. The full InChI is InChI=1S/C22H44P2.C8H12.F6P.Ir/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h15-22H,9-14H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;/t19-,20-,21-,22-;;;/m0.../s1.
What are the key properties of CID 11643550?
CID 11643550 has a molecular weight of 815.90 g/mol, XLogP of 13.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11643550 is sourced from PubChem (CID 11643550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).