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

C29H26NP — CID 156655305

IUPAC2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine
SMILESCC1(C)c2ccccc2P2c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32
InChIInChI=1S/C29H26NP/c1-28(2)20-11-5-7-14-25(20)31-26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)31)24-13-9-10-16-30-24/h5-18H,1-4H3
InChIKeyXESMNTKMEZTLFX-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.79
Rot. Bonds1

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

2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine (PubChem CID 156655305) has the molecular formula C29H26NP and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine.

Molecular Properties

Compound Name2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine
PubChem CID156655305
Molecular FormulaC29H26NP
Molecular Weight419.51 g/mol
Exact Mass419.18
IUPAC Name2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine
SMILESCC1(C)c2ccccc2P2c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32
InChIInChI=1S/C29H26NP/c1-28(2)20-11-5-7-14-25(20)31-26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)31)24-13-9-10-16-30-24/h5-18H,1-4H3
InChIKeyXESMNTKMEZTLFX-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine
CID 122415950
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292703
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257

Frequently Asked Questions

What is the IUPAC name of 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine?
The IUPAC name of 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine (CID 156655305) is 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine.
What is the SMILES notation for 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine?
The canonical SMILES for 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine is CC1(C)c2ccccc2P2c3ccccc3C(C)(C)c3cc(-c4ccccn4)cc1c32.
What is the InChIKey of 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine?
The InChIKey is XESMNTKMEZTLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NP/c1-28(2)20-11-5-7-14-25(20)31-26-15-8-6-12-21(26)29(3,4)23-18-19(17-22(28)27(23)31)24-13-9-10-16-30-24/h5-18H,1-4H3.
What are the key properties of 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine?
2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine has a molecular weight of 419.51 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8,14,14-tetramethyl-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)pyridine is sourced from PubChem (CID 156655305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).