8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

C29H26NOP — CID 156655217

IUPAC8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESCC1(C)c2ccccc2P2(=O)c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32
InChIInChI=1S/C29H26NOP/c1-28(2)20-11-5-7-14-25(20)32(31)26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)32)24-13-9-10-16-30-24/h5-18H,1-4H3
InChIKeyPRTGOBKAALXHCU-UHFFFAOYSA-N
MW435.51 g/mol
LogP5.67
Rot. Bonds1

About 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (PubChem CID 156655217) has the molecular formula C29H26NOP and a molecular weight of 435.51 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
PubChem CID156655217
Molecular FormulaC29H26NOP
Molecular Weight435.51 g/mol
Exact Mass435.18
IUPAC Name8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESCC1(C)c2ccccc2P2(=O)c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32
InChIInChI=1S/C29H26NOP/c1-28(2)20-11-5-7-14-25(20)32(31)26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)32)24-13-9-10-16-30-24/h5-18H,1-4H3
InChIKeyPRTGOBKAALXHCU-UHFFFAOYSA-N
XLogP5.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The IUPAC name of 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (CID 156655217) is 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.
What is the SMILES notation for 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The canonical SMILES for 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is CC1(C)c2ccccc2P2(=O)c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32.
What is the InChIKey of 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The InChIKey is PRTGOBKAALXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NOP/c1-28(2)20-11-5-7-14-25(20)32(31)26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)32)24-13-9-10-16-30-24/h5-18H,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide has a molecular weight of 435.51 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is sourced from PubChem (CID 156655217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).