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

C140H136P6 — CID 158761119

IUPACbis([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
SMILESCc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)cc1
InChIInChI=1S/2C48H48P2.C44H40P2/c2*1-33-13-9-19-39(29-33)49(40-20-10-14-34(2)30-40)45-27-25-37-17-5-7-23-43(37)47(45)48-44-24-8-6-18-38(44)26-28-46(48)50(41-21-11-15-35(3)31-41)42-22-12-16-36(4)32-42;1-5-19-35(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/h2*9-16,19-22,25-32H,5-8,17-18,23-24H2,1-4H3;1-12,19-26,29-32H,13-18,27-28H2
InChIKeyIORJRUIZYDNAGT-UHFFFAOYSA-N
MW2004.47 g/mol
LogP28.35
Rot. Bonds21

About 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

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 (PubChem CID 158761119) has the molecular formula C140H136P6 and a molecular weight of 2004.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis([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
PubChem CID158761119
Molecular FormulaC140H136P6
Molecular Weight2004.47 g/mol
Exact Mass2002.91
IUPAC Namebis([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
SMILESCc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)cc1
InChIInChI=1S/2C48H48P2.C44H40P2/c2*1-33-13-9-19-39(29-33)49(40-20-10-14-34(2)30-40)45-27-25-37-17-5-7-23-43(37)47(45)48-44-24-8-6-18-38(44)26-28-46(48)50(41-21-11-15-35(3)31-41)42-22-12-16-36(4)32-42;1-5-19-35(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/h2*9-16,19-22,25-32H,5-8,17-18,23-24H2,1-4H3;1-12,19-26,29-32H,13-18,27-28H2
InChIKeyIORJRUIZYDNAGT-UHFFFAOYSA-N
XLogP28.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002004.47
LogP ≤ 528.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
[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
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
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
(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
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
[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
N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 20606238

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.Cc1cccc(P(c2cccc(C)c2)c2ccc3c(c2-c2c(P(c4cccc(C)c4)c4cccc(C)c4)ccc4c2CCCC4)CCCC3)c1.c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)cc1.
What is the InChIKey of 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?
The InChIKey is IORJRUIZYDNAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H48P2.C44H40P2/c2*1-33-13-9-19-39(29-33)49(40-20-10-14-34(2)30-40)45-27-25-37-17-5-7-23-43(37)47(45)48-44-24-8-6-18-38(44)26-28-46(48)50(41-21-11-15-35(3)31-41)42-22-12-16-36(4)32-42;1-5-19-35(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/h2*9-16,19-22,25-32H,5-8,17-18,23-24H2,1-4H3;1-12,19-26,29-32H,13-18,27-28H2.
What are the key properties of 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?
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 has a molecular weight of 2004.47 g/mol, XLogP of 28.35, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158761119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).