9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane

C44H36N3P — CID 158760792

IUPAC9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
SMILESC.[3H]CP.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H27N3.CH5P.CH4/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;1-2;/h1-27H;2H2,1H3;1H4/i;1T;
InChIKeyIOQHGVPJEVUCFQ-RZBWRYPDSA-N
MW639.78 g/mol
LogP12.11
Rot. Bonds3

About 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane

9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane (PubChem CID 158760792) has the molecular formula C44H36N3P and a molecular weight of 639.78 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
PubChem CID158760792
Molecular FormulaC44H36N3P
Molecular Weight639.78 g/mol
Exact Mass639.27
IUPAC Name9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
SMILESC.[3H]CP.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H27N3.CH5P.CH4/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;1-2;/h1-27H;2H2,1H3;1H4/i;1T;
InChIKeyIOQHGVPJEVUCFQ-RZBWRYPDSA-N
XLogP12.11
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.78
LogP ≤ 512.11
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

9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3,5-di(carbazol-9-yl)-N-chloroaniline
CID 139393614
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane (CID 158760792) is 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane is C.[3H]CP.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane?
The InChIKey is IOQHGVPJEVUCFQ-RZBWRYPDSA-N. The full InChI is InChI=1S/C42H27N3.CH5P.CH4/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;1-2;/h1-27H;2H2,1H3;1H4/i;1T;.
What are the key properties of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane?
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane has a molecular weight of 639.78 g/mol, XLogP of 12.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane is sourced from PubChem (CID 158760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).