N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline

C58H40N5OP — CID 58518423

IUPACN-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
SMILESO=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H40N5OP/c64-65(63(43-21-3-1-4-22-43)44-23-5-2-6-24-44,57-37-17-31-51(59-57)41-19-15-25-45(39-41)61-53-33-11-7-27-47(53)48-28-8-12-34-54(48)61)58-38-18-32-52(60-58)42-20-16-26-46(40-42)62-55-35-13-9-29-49(55)50-30-10-14-36-56(50)62/h1-40H
InChIKeyDMYNBLRRERUEQS-UHFFFAOYSA-N
MW853.97 g/mol
LogP14.07
Rot. Bonds9

About N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline

N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline (PubChem CID 58518423) has the molecular formula C58H40N5OP and a molecular weight of 853.97 g/mol. Its IUPAC name is N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline.

Molecular Properties

Compound NameN-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
PubChem CID58518423
Molecular FormulaC58H40N5OP
Molecular Weight853.97 g/mol
Exact Mass853.30
IUPAC NameN-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
SMILESO=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H40N5OP/c64-65(63(43-21-3-1-4-22-43)44-23-5-2-6-24-44,57-37-17-31-51(59-57)41-19-15-25-45(39-41)61-53-33-11-7-27-47(53)48-28-8-12-34-54(48)61)58-38-18-32-52(60-58)42-20-16-26-46(40-42)62-55-35-13-9-29-49(55)50-30-10-14-36-56(50)62/h1-40H
InChIKeyDMYNBLRRERUEQS-UHFFFAOYSA-N
XLogP14.07
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.97
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518389
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
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[2-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]phenyl]carbazole;N,N-diphenyl-3-[6-phenyl-2-[4-phenyl-6-[3-(N-phenylanilino)phenyl]pyrimidin-2-yl]pyrimidin-4-yl]aniline;2-(4,6-diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 158020152
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[3,2-b]carbazole
CID 169037108
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966

Frequently Asked Questions

What is the IUPAC name of N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The IUPAC name of N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline (CID 58518423) is N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline.
What is the SMILES notation for N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The canonical SMILES for N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline is O=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The InChIKey is DMYNBLRRERUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N5OP/c64-65(63(43-21-3-1-4-22-43)44-23-5-2-6-24-44,57-37-17-31-51(59-57)41-19-15-25-45(39-41)61-53-33-11-7-27-47(53)48-28-8-12-34-54(48)61)58-38-18-32-52(60-58)42-20-16-26-46(40-42)62-55-35-13-9-29-49(55)50-30-10-14-36-56(50)62/h1-40H.
What are the key properties of N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline has a molecular weight of 853.97 g/mol, XLogP of 14.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline is sourced from PubChem (CID 58518423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).