6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine

C46H32N5OP — CID 58518337

IUPAC6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
SMILESO=P(c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)n2)n1)(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H32N5OP/c52-53(50-41-27-11-7-21-35(41)36-22-8-12-28-42(36)50,51-43-29-13-9-23-37(43)38-24-10-14-30-44(38)51)46-32-16-26-40(48-46)39-25-15-31-45(47-39)49(33-17-3-1-4-18-33)34-19-5-2-6-20-34/h1-32H
InChIKeyXOPGPQSTDCCBBW-UHFFFAOYSA-N
MW701.77 g/mol
LogP11.74
Rot. Bonds7

About 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine

6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine (PubChem CID 58518337) has the molecular formula C46H32N5OP and a molecular weight of 701.77 g/mol. Its IUPAC name is 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine.

Molecular Properties

Compound Name6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
PubChem CID58518337
Molecular FormulaC46H32N5OP
Molecular Weight701.77 g/mol
Exact Mass701.23
IUPAC Name6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
SMILESO=P(c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)n2)n1)(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H32N5OP/c52-53(50-41-27-11-7-21-35(41)36-22-8-12-28-42(36)50,51-43-29-13-9-23-37(43)38-24-10-14-30-44(38)51)46-32-16-26-40(48-46)39-25-15-31-45(47-39)49(33-17-3-1-4-18-33)34-19-5-2-6-20-34/h1-32H
InChIKeyXOPGPQSTDCCBBW-UHFFFAOYSA-N
XLogP11.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.77
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421
N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
CID 58518314
N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518389
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
CID 58855335
3-[6-bis(N-phenylanilino)phosphoryl-2-pyridinyl]-N,N-diphenylaniline;N-[[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-(N-phenylanilino)phosphoryl]-N-phenylaniline;N-[[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-(N-phenylanilino)phosphoryl]-N-phenylaniline;3-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylaniline;9-[3-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]phenyl]carbazole;9-[6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-2-pyridinyl]carbazole;9-dipyridin-2-ylphosphorylcarbazole;N-dipyridin-2-ylphosphoryl-N-phenylaniline
CID 160592957
N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518423
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
CID 58518415
2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine
CID 147552831
N-phenyl-6-pyridin-2-yl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704261

Frequently Asked Questions

What is the IUPAC name of 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine?
The IUPAC name of 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine (CID 58518337) is 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine.
What is the SMILES notation for 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine?
The canonical SMILES for 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine is O=P(c1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)n2)n1)(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine?
The InChIKey is XOPGPQSTDCCBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N5OP/c52-53(50-41-27-11-7-21-35(41)36-22-8-12-28-42(36)50,51-43-29-13-9-23-37(43)38-24-10-14-30-44(38)51)46-32-16-26-40(48-46)39-25-15-31-45(47-39)49(33-17-3-1-4-18-33)34-19-5-2-6-20-34/h1-32H.
What are the key properties of 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine?
6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine has a molecular weight of 701.77 g/mol, XLogP of 11.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine is sourced from PubChem (CID 58518337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).