2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane

C144H192P10 — CID 159036006

IUPAC2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane
SMILESCC(C)(C)P1CCCC1C1CCCP1C(C)(C)C.CC(C)(C)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1C1c2ccc3ccccc3c2-c2c(ccc3ccccc23)CP1C(C)(C)C.CC(C)(C)P1Cc2ccccc2C1C1c2ccccc2CP1C(C)(C)C.CP(c1ccccc1P(C)C(C)(C)C)C(C)(C)C.c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C52H48P2.C36H52P2.C24H32P2.C16H32P2.C16H28P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46;1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6;1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6;1-15(2,3)17(7)13-11-9-10-12-14(13)18(8)16(4,5)6/h7-30,49-50H,31-32H2,1-6H3;13-16,25-32H,1-12,17-24H2;7-14,21-22H,15-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-12H,1-8H3
InChIKeyJVLTVJSXBMCUIV-UHFFFAOYSA-N
MW2232.86 g/mol
LogP45.59
Rot. Bonds12

About 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane

2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane (PubChem CID 159036006) has the molecular formula C144H192P10 and a molecular weight of 2232.86 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane
PubChem CID159036006
Molecular FormulaC144H192P10
Molecular Weight2232.86 g/mol
Exact Mass2231.24
IUPAC Name2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane
SMILESCC(C)(C)P1CCCC1C1CCCP1C(C)(C)C.CC(C)(C)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1C1c2ccc3ccccc3c2-c2c(ccc3ccccc23)CP1C(C)(C)C.CC(C)(C)P1Cc2ccccc2C1C1c2ccccc2CP1C(C)(C)C.CP(c1ccccc1P(C)C(C)(C)C)C(C)(C)C.c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C52H48P2.C36H52P2.C24H32P2.C16H32P2.C16H28P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46;1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6;1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6;1-15(2,3)17(7)13-11-9-10-12-14(13)18(8)16(4,5)6/h7-30,49-50H,31-32H2,1-6H3;13-16,25-32H,1-12,17-24H2;7-14,21-22H,15-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-12H,1-8H3
InChIKeyJVLTVJSXBMCUIV-UHFFFAOYSA-N
XLogP45.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002232.86
LogP ≤ 545.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane?
The IUPAC name of 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane (CID 159036006) is 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane.
What is the SMILES notation for 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane?
The canonical SMILES for 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane is CC(C)(C)P1CCCC1C1CCCP1C(C)(C)C.CC(C)(C)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1C1c2ccc3ccccc3c2-c2c(ccc3ccccc23)CP1C(C)(C)C.CC(C)(C)P1Cc2ccccc2C1C1c2ccccc2CP1C(C)(C)C.CP(c1ccccc1P(C)C(C)(C)C)C(C)(C)C.c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane?
The InChIKey is JVLTVJSXBMCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48P2.C36H52P2.C24H32P2.C16H32P2.C16H28P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46;1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6;1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6;1-15(2,3)17(7)13-11-9-10-12-14(13)18(8)16(4,5)6/h7-30,49-50H,31-32H2,1-6H3;13-16,25-32H,1-12,17-24H2;7-14,21-22H,15-16H2,1-6H3;13-14H,7-12H2,1-6H3;9-12H,1-8H3.
What are the key properties of 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane?
2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane has a molecular weight of 2232.86 g/mol, XLogP of 45.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole;tert-butyl-[2-[tert-butyl(methyl)phosphanyl]phenyl]-methylphosphane;13-tert-butyl-12-(13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;1-tert-butyl-2-(1-tert-butylphospholan-2-yl)phospholane;dicyclohexyl-[2-(2-dicyclohexylphosphanylphenyl)phenyl]phosphane is sourced from PubChem (CID 159036006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).