N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine

C64H45N6OP — CID 58518314

IUPACN-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
SMILESO=P(c1ccccc1)(c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C64H45N6OP/c71-72(52-24-8-3-9-25-52,63-36-18-34-61(65-63)67(46-20-4-1-5-21-46)48-38-42-50(43-39-48)69-57-30-14-10-26-53(57)54-27-11-15-31-58(54)69)64-37-19-35-62(66-64)68(47-22-6-2-7-23-47)49-40-44-51(45-41-49)70-59-32-16-12-28-55(59)56-29-13-17-33-60(56)70/h1-45H
InChIKeyZUEOYTSYNACBJU-UHFFFAOYSA-N
MW945.08 g/mol
LogP15.25
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine

N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine (PubChem CID 58518314) has the molecular formula C64H45N6OP and a molecular weight of 945.08 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
PubChem CID58518314
Molecular FormulaC64H45N6OP
Molecular Weight945.08 g/mol
Exact Mass944.34
IUPAC NameN-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
SMILESO=P(c1ccccc1)(c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C64H45N6OP/c71-72(52-24-8-3-9-25-52,63-36-18-34-61(65-63)67(46-20-4-1-5-21-46)48-38-42-50(43-39-48)69-57-30-14-10-26-53(57)54-27-11-15-31-58(54)69)64-37-19-35-62(66-64)68(47-22-6-2-7-23-47)49-40-44-51(45-41-49)70-59-32-16-12-28-55(59)56-29-13-17-33-60(56)70/h1-45H
InChIKeyZUEOYTSYNACBJU-UHFFFAOYSA-N
XLogP15.25
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.08
LogP ≤ 515.25
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

4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(3-carbazol-9-ylphenyl)carbazole;(4-diphenylphosphorylphenyl)-triphenylsilane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159029403
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine (CID 58518314) is N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine is O=P(c1ccccc1)(c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1)c1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine?
The InChIKey is ZUEOYTSYNACBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N6OP/c71-72(52-24-8-3-9-25-52,63-36-18-34-61(65-63)67(46-20-4-1-5-21-46)48-38-42-50(43-39-48)69-57-30-14-10-26-53(57)54-27-11-15-31-58(54)69)64-37-19-35-62(66-64)68(47-22-6-2-7-23-47)49-40-44-51(45-41-49)70-59-32-16-12-28-55(59)56-29-13-17-33-60(56)70/h1-45H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine?
N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine has a molecular weight of 945.08 g/mol, XLogP of 15.25, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 58518314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).