methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane

C31H26N3P — CID 159863154

IUPACmethyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane
SMILESCc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5ncccc5C)c4c3)c2)c1
InChIInChI=1S/C31H26N3P/c1-21-15-17-32-30(18-21)35(3)25-10-6-9-23(19-25)24-13-14-27-26-11-4-5-12-28(26)34(29(27)20-24)31-22(2)8-7-16-33-31/h4-20H,1-3H3
InChIKeySSYCFSBWZBXFJC-UHFFFAOYSA-N
MW471.54 g/mol
LogP6.92
Rot. Bonds4

About methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane

methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane (PubChem CID 159863154) has the molecular formula C31H26N3P and a molecular weight of 471.54 g/mol. Its IUPAC name is methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namemethyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane
PubChem CID159863154
Molecular FormulaC31H26N3P
Molecular Weight471.54 g/mol
Exact Mass471.19
IUPAC Namemethyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane
SMILESCc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5ncccc5C)c4c3)c2)c1
InChIInChI=1S/C31H26N3P/c1-21-15-17-32-30(18-21)35(3)25-10-6-9-23(19-25)24-13-14-27-26-11-4-5-12-28(26)34(29(27)20-24)31-22(2)8-7-16-33-31/h4-20H,1-3H3
InChIKeySSYCFSBWZBXFJC-UHFFFAOYSA-N
XLogP6.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-methyl-(4-methyl-2-pyridinyl)phosphane
CID 157440294
dimethyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 158985366
dimethyl-(3-methyl-2-pyridinyl)-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 157115995
9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277
9-(2,6-diphenyl-4-pyridinyl)-2-(3-methylphenyl)carbazole
CID 145333962
dimethyl-(4-methyl-2-pyridinyl)-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]silane
CID 158985368
9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole
CID 157460686
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
9-(2,4-dimethylphenyl)-2-[9-(2,4-dimethylphenyl)carbazol-2-yl]carbazole
CID 59935132
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703

Frequently Asked Questions

What is the IUPAC name of methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane?
The IUPAC name of methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane (CID 159863154) is methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane.
What is the SMILES notation for methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane?
The canonical SMILES for methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane is Cc1ccnc(P(C)c2cccc(-c3ccc4c5ccccc5n(-c5ncccc5C)c4c3)c2)c1.
What is the InChIKey of methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane?
The InChIKey is SSYCFSBWZBXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N3P/c1-21-15-17-32-30(18-21)35(3)25-10-6-9-23(19-25)24-13-14-27-26-11-4-5-12-28(26)34(29(27)20-24)31-22(2)8-7-16-33-31/h4-20H,1-3H3.
What are the key properties of methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane?
methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane has a molecular weight of 471.54 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methyl-2-pyridinyl)-[3-[9-(3-methyl-2-pyridinyl)carbazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 159863154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).