(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane

C44H44N2P2 — CID 20606161

IUPAC(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
SMILESCc1ccc2c(c1P(c1ccccc1)c1ccccc1)-c1c(ccc(C)c1P(c1ccccc1)c1ccccc1)N(C)CCCCN2C
InChIInChI=1S/C44H44N2P2/c1-33-27-29-39-41(43(33)47(35-19-9-5-10-20-35)36-21-11-6-12-22-36)42-40(46(4)32-18-17-31-45(39)3)30-28-34(2)44(42)48(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-16,19-30H,17-18,31-32H2,1-4H3
InChIKeyCAXCSMOXTOSENY-UHFFFAOYSA-N
MW662.80 g/mol
LogP8.15
Rot. Bonds6

About (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane

(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane (PubChem CID 20606161) has the molecular formula C44H44N2P2 and a molecular weight of 662.80 g/mol. Its IUPAC name is (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
PubChem CID20606161
Molecular FormulaC44H44N2P2
Molecular Weight662.80 g/mol
Exact Mass662.30
IUPAC Name(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
SMILESCc1ccc2c(c1P(c1ccccc1)c1ccccc1)-c1c(ccc(C)c1P(c1ccccc1)c1ccccc1)N(C)CCCCN2C
InChIInChI=1S/C44H44N2P2/c1-33-27-29-39-41(43(33)47(35-19-9-5-10-20-35)36-21-11-6-12-22-36)42-40(46(4)32-18-17-31-45(39)3)30-28-34(2)44(42)48(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-16,19-30H,17-18,31-32H2,1-4H3
InChIKeyCAXCSMOXTOSENY-UHFFFAOYSA-N
XLogP8.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The IUPAC name of (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane (CID 20606161) is (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane.
What is the SMILES notation for (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The canonical SMILES for (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane is Cc1ccc2c(c1P(c1ccccc1)c1ccccc1)-c1c(ccc(C)c1P(c1ccccc1)c1ccccc1)N(C)CCCCN2C.
What is the InChIKey of (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
The InChIKey is CAXCSMOXTOSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2P2/c1-33-27-29-39-41(43(33)47(35-19-9-5-10-20-35)36-21-11-6-12-22-36)42-40(46(4)32-18-17-31-45(39)3)30-28-34(2)44(42)48(37-23-13-7-14-24-37)38-25-15-8-16-26-38/h5-16,19-30H,17-18,31-32H2,1-4H3.
What are the key properties of (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane?
(18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane has a molecular weight of 662.80 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (18-diphenylphosphanyl-4,8,13,17-tetramethyl-8,13-diazatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane is sourced from PubChem (CID 20606161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).