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

C46H34N5OP — CID 58518421

IUPAC6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
SMILESO=P(c1cccc(N(c2ccccc2)c2ccccc2)n1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H34N5OP/c52-53(51-41-29-15-13-27-39(41)40-28-14-16-30-42(40)51,45-33-17-31-43(47-45)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36)46-34-18-32-44(48-46)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-34H
InChIKeyUIAAUUHXMXEGBJ-UHFFFAOYSA-N
MW703.79 g/mol
LogP11.30
Rot. Bonds9

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

6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine (PubChem CID 58518421) has the molecular formula C46H34N5OP and a molecular weight of 703.79 g/mol. Its IUPAC name is 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine.

Molecular Properties

Compound Name6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
PubChem CID58518421
Molecular FormulaC46H34N5OP
Molecular Weight703.79 g/mol
Exact Mass703.25
IUPAC Name6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
SMILESO=P(c1cccc(N(c2ccccc2)c2ccccc2)n1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H34N5OP/c52-53(51-41-29-15-13-27-39(41)40-28-14-16-30-42(40)51,45-33-17-31-43(47-45)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36)46-34-18-32-44(48-46)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-34H
InChIKeyUIAAUUHXMXEGBJ-UHFFFAOYSA-N
XLogP11.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.79
LogP ≤ 511.30
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-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
CID 58518337
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
CID 58518415
N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
CID 58518314
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
CID 58518349
N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518389
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,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
4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 88560240
N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518423

Frequently Asked Questions

What is the IUPAC name of 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine?
The IUPAC name of 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine (CID 58518421) is 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine.
What is the SMILES notation for 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine?
The canonical SMILES for 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine is O=P(c1cccc(N(c2ccccc2)c2ccccc2)n1)(c1cccc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine?
The InChIKey is UIAAUUHXMXEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N5OP/c52-53(51-41-29-15-13-27-39(41)40-28-14-16-30-42(40)51,45-33-17-31-43(47-45)49(35-19-5-1-6-20-35)36-21-7-2-8-22-36)46-34-18-32-44(48-46)50(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-34H.
What are the key properties of 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine?
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine has a molecular weight of 703.79 g/mol, XLogP of 11.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine is sourced from PubChem (CID 58518421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).