(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane

C44H42P2 — CID 134992051

IUPAC(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)CCCCCCCC3)cc1
InChIInChI=1S/C44H42P2/c1-2-4-10-22-36-24-20-34-42(46(39-29-15-7-16-30-39)40-31-17-8-18-32-40)44(36)43-35(21-9-3-1)23-19-33-41(43)45(37-25-11-5-12-26-37)38-27-13-6-14-28-38/h5-8,11-20,23-34H,1-4,9-10,21-22H2
InChIKeyVEZBBWSHSOFYMJ-UHFFFAOYSA-N
MW632.77 g/mol
LogP9.31
Rot. Bonds6

About (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane

(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane (PubChem CID 134992051) has the molecular formula C44H42P2 and a molecular weight of 632.77 g/mol. Its IUPAC name is (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane.

Molecular Properties

Compound Name(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
PubChem CID134992051
Molecular FormulaC44H42P2
Molecular Weight632.77 g/mol
Exact Mass632.28
IUPAC Name(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)CCCCCCCC3)cc1
InChIInChI=1S/C44H42P2/c1-2-4-10-22-36-24-20-34-42(46(39-29-15-7-16-30-39)40-31-17-8-18-32-40)44(36)43-35(21-9-3-1)23-19-33-41(43)45(37-25-11-5-12-26-37)38-27-13-6-14-28-38/h5-8,11-20,23-34H,1-4,9-10,21-22H2
InChIKeyVEZBBWSHSOFYMJ-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 59.31
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

(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
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
[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 45258076
(22-diphenylphosphanyl-8,17-dioxatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
CID 127262679
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71608542
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
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
diphenyl-[(3S)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-yl]phosphane
CID 150467186
[(2Z)-2-[(2Z)-1-diphenylphosphanylpenta-2,4-dienylidene]-4,5,6,7-tetrahydro-3H-1-benzoxonin-11-yl]-diphenylphosphane
CID 143210396

Frequently Asked Questions

What is the IUPAC name of (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane?
The IUPAC name of (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane (CID 134992051) is (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane.
What is the SMILES notation for (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane?
The canonical SMILES for (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)CCCCCCCC3)cc1.
What is the InChIKey of (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane?
The InChIKey is VEZBBWSHSOFYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42P2/c1-2-4-10-22-36-24-20-34-42(46(39-29-15-7-16-30-39)40-31-17-8-18-32-40)44(36)43-35(21-9-3-1)23-19-33-41(43)45(37-25-11-5-12-26-37)38-27-13-6-14-28-38/h5-8,11-20,23-34H,1-4,9-10,21-22H2.
What are the key properties of (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane?
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane has a molecular weight of 632.77 g/mol, XLogP of 9.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane is sourced from PubChem (CID 134992051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).