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

C56H38N7OP — CID 58518389

IUPACN-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
SMILESO=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H38N7OP/c64-65(63(39-19-3-1-4-20-39)40-21-5-2-6-22-40,55-37-17-29-47(59-55)45-27-15-35-53(57-45)61-49-31-11-7-23-41(49)42-24-8-12-32-50(42)61)56-38-18-30-48(60-56)46-28-16-36-54(58-46)62-51-33-13-9-25-43(51)44-26-10-14-34-52(44)62/h1-38H
InChIKeyJLTPCNYCSWIPTM-UHFFFAOYSA-N
MW855.94 g/mol
LogP12.86
Rot. Bonds9

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

N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline (PubChem CID 58518389) has the molecular formula C56H38N7OP and a molecular weight of 855.94 g/mol. Its IUPAC name is N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline.

Molecular Properties

Compound NameN-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
PubChem CID58518389
Molecular FormulaC56H38N7OP
Molecular Weight855.94 g/mol
Exact Mass855.29
IUPAC NameN-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
SMILESO=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H38N7OP/c64-65(63(39-19-3-1-4-20-39)40-21-5-2-6-22-40,55-37-17-29-47(59-55)45-27-15-35-53(57-45)61-49-31-11-7-23-41(49)42-24-8-12-32-50(42)61)56-38-18-30-48(60-56)46-28-16-36-54(58-46)62-51-33-13-9-25-43(51)44-26-10-14-34-52(44)62/h1-38H
InChIKeyJLTPCNYCSWIPTM-UHFFFAOYSA-N
XLogP12.86
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.94
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518423
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
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
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
CID 58518415
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
6-[6-di(carbazol-9-yl)phosphoryl-2-pyridinyl]-N,N-diphenylpyridin-2-amine
CID 58518337
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497

Frequently Asked Questions

What is the IUPAC name of N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The IUPAC name of N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline (CID 58518389) is N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline.
What is the SMILES notation for N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The canonical SMILES for N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline is O=P(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)(c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
The InChIKey is JLTPCNYCSWIPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N7OP/c64-65(63(39-19-3-1-4-20-39)40-21-5-2-6-22-40,55-37-17-29-47(59-55)45-27-15-35-53(57-45)61-49-31-11-7-23-41(49)42-24-8-12-32-50(42)61)56-38-18-30-48(60-56)46-28-16-36-54(58-46)62-51-33-13-9-25-43(51)44-26-10-14-34-52(44)62/h1-38H.
What are the key properties of N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline?
N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline has a molecular weight of 855.94 g/mol, XLogP of 12.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline is sourced from PubChem (CID 58518389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).