bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane

C161H205Fe2P9 — CID 162274478

IUPACbis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(c1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C.CC(C)(C)P(c1ccccc1)C1CCCC1.CC(C)(C)P(c1ccccc1)C1CCCC1.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C36H48P2.C21H21P.2C15H29P.2C15H23P.2Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-33(2,3)37(34(4,5)6)29-23-21-25-17-13-15-19-27(25)31(29)32-28-20-16-14-18-26(28)22-24-30(32)38(35(7,8)9)36(10,11)12;1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;4*1-15(2,3)16(14-11-7-8-12-14)13-9-5-4-6-10-13;;/h1-32H;13-24H,1-12H3;4-15H,1-3H3;2*13-14H,4-12H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;;
InChIKeyUBLQFVQLMRYMOI-UHFFFAOYSA-N
MW2530.87 g/mol
LogP44.76
Rot. Bonds21

About bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane

bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane (PubChem CID 162274478) has the molecular formula C161H205Fe2P9 and a molecular weight of 2530.87 g/mol. Its IUPAC name is bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane.

Molecular Properties

Compound Namebis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane
PubChem CID162274478
Molecular FormulaC161H205Fe2P9
Molecular Weight2530.87 g/mol
Exact Mass2529.24
IUPAC Namebis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(c1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C.CC(C)(C)P(c1ccccc1)C1CCCC1.CC(C)(C)P(c1ccccc1)C1CCCC1.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32P2.C36H48P2.C21H21P.2C15H29P.2C15H23P.2Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-33(2,3)37(34(4,5)6)29-23-21-25-17-13-15-19-27(25)31(29)32-28-20-16-14-18-26(28)22-24-30(32)38(35(7,8)9)36(10,11)12;1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;4*1-15(2,3)16(14-11-7-8-12-14)13-9-5-4-6-10-13;;/h1-32H;13-24H,1-12H3;4-15H,1-3H3;2*13-14H,4-12H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;;
InChIKeyUBLQFVQLMRYMOI-UHFFFAOYSA-N
XLogP44.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002530.87
LogP ≤ 544.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 118856545
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
CID 139747462
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
CID 23221330
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
(1-diphenylphosphanylbenzo[d][1,3]benzodioxepin-11-yl)-diphenylphosphane;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 157489097
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane?
The IUPAC name of bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane (CID 162274478) is bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane.
What is the SMILES notation for bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane?
The canonical SMILES for bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane is CC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(C1CCCCC1)C1CCCC1.CC(C)(C)P(c1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C.CC(C)(C)P(c1ccccc1)C1CCCC1.CC(C)(C)P(c1ccccc1)C1CCCC1.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane?
The InChIKey is UBLQFVQLMRYMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32P2.C36H48P2.C21H21P.2C15H29P.2C15H23P.2Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-33(2,3)37(34(4,5)6)29-23-21-25-17-13-15-19-27(25)31(29)32-28-20-16-14-18-26(28)22-24-30(32)38(35(7,8)9)36(10,11)12;1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;4*1-15(2,3)16(14-11-7-8-12-14)13-9-5-4-6-10-13;;/h1-32H;13-24H,1-12H3;4-15H,1-3H3;2*13-14H,4-12H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;;.
What are the key properties of bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane?
bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane has a molecular weight of 2530.87 g/mol, XLogP of 44.76, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-cyclohexyl-cyclopentylphosphane);bis(tert-butyl-cyclopentyl-phenylphosphane);ditert-butyl-[1-(2-ditert-butylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron;tris(2-methylphenyl)phosphane is sourced from PubChem (CID 162274478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).