2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C192H137N17O6P6 — CID 158143516

IUPAC2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(P3(=O)N(c4ccccc4)c4ccccc4N3c3ccccc3)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc(-n3c4ccccc4c4ccccc43)cc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc3c(c2)c2cc(P4(=O)N(c5ccccc5)c5ccccc5N4c4ccccc4)ccc2n3-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/2C54H39N5O2P2.C48H33N4OP.C36H26N3OP/c60-62(56(41-22-8-2-9-23-41)51-30-16-17-31-52(51)57(62)42-24-10-3-11-25-42)45-34-36-49-47(38-45)48-39-46(35-37-50(48)55(49)40-20-6-1-7-21-40)63(61)58(43-26-12-4-13-27-43)53-32-18-19-33-54(53)59(63)44-28-14-5-15-29-44;60-62(56(40-21-5-1-6-22-40)51-33-17-18-34-52(51)57(62)41-23-7-2-8-24-41)45-37-44(55-49-31-15-13-29-47(49)48-30-14-16-32-50(48)55)38-46(39-45)63(61)58(42-25-9-3-10-26-42)53-35-19-20-36-54(53)59(63)43-27-11-4-12-28-43;53-54(51(34-17-3-1-4-18-34)47-29-15-16-30-48(47)52(54)35-19-5-2-6-20-35)38-32-36(49-43-25-11-7-21-39(43)40-22-8-12-26-44(40)49)31-37(33-38)50-45-27-13-9-23-41(45)42-24-10-14-28-46(42)50;40-41(30-25-23-27(24-26-30)37-33-19-9-7-17-31(33)32-18-8-10-20-34(32)37)38(28-13-3-1-4-14-28)35-21-11-12-22-36(35)39(41)29-15-5-2-6-16-29/h2*1-39H;1-33H;1-26H
InChIKeyFUFSFPHFKJESTB-UHFFFAOYSA-N
MW2964.16 g/mol
LogP51.08
Rot. Bonds23

About 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 158143516) has the molecular formula C192H137N17O6P6 and a molecular weight of 2964.16 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID158143516
Molecular FormulaC192H137N17O6P6
Molecular Weight2964.16 g/mol
Exact Mass2961.94
IUPAC Name2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(P3(=O)N(c4ccccc4)c4ccccc4N3c3ccccc3)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc(-n3c4ccccc4c4ccccc43)cc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc3c(c2)c2cc(P4(=O)N(c5ccccc5)c5ccccc5N4c4ccccc4)ccc2n3-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/2C54H39N5O2P2.C48H33N4OP.C36H26N3OP/c60-62(56(41-22-8-2-9-23-41)51-30-16-17-31-52(51)57(62)42-24-10-3-11-25-42)45-34-36-49-47(38-45)48-39-46(35-37-50(48)55(49)40-20-6-1-7-21-40)63(61)58(43-26-12-4-13-27-43)53-32-18-19-33-54(53)59(63)44-28-14-5-15-29-44;60-62(56(40-21-5-1-6-22-40)51-33-17-18-34-52(51)57(62)41-23-7-2-8-24-41)45-37-44(55-49-31-15-13-29-47(49)48-30-14-16-32-50(48)55)38-46(39-45)63(61)58(42-25-9-3-10-26-42)53-35-19-20-36-54(53)59(63)43-27-11-4-12-28-43;53-54(51(34-17-3-1-4-18-34)47-29-15-16-30-48(47)52(54)35-19-5-2-6-20-35)38-32-36(49-43-25-11-7-21-39(43)40-22-8-12-26-44(40)49)31-37(33-38)50-45-27-13-9-23-41(45)42-24-10-14-28-46(42)50;40-41(30-25-23-27(24-26-30)37-33-19-9-7-17-31(33)32-18-8-10-20-34(32)37)38(28-13-3-1-4-14-28)35-21-11-12-22-36(35)39(41)29-15-5-2-6-16-29/h2*1-39H;1-33H;1-26H
InChIKeyFUFSFPHFKJESTB-UHFFFAOYSA-N
XLogP51.08
TPSA165.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002964.16
LogP ≤ 551.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide with MolForge

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Related Compounds

1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535949
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399956
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134536016
2-phenyl-1-(9-phenylcarbazol-3-yl)-3-[(E)-1-(1-phenyl-2-propylindol-3-yl)prop-1-en-2-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 155236863
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide
CID 162698967
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 158143516) is 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2cc(-n3c4ccccc4c4ccccc43)cc(P3(=O)N(c4ccccc4)c4ccccc4N3c3ccccc3)c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc(-n3c4ccccc4c4ccccc43)cc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.O=P1(c2ccc3c(c2)c2cc(P4(=O)N(c5ccccc5)c5ccccc5N4c4ccccc4)ccc2n3-c2ccccc2)N(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is FUFSFPHFKJESTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H39N5O2P2.C48H33N4OP.C36H26N3OP/c60-62(56(41-22-8-2-9-23-41)51-30-16-17-31-52(51)57(62)42-24-10-3-11-25-42)45-34-36-49-47(38-45)48-39-46(35-37-50(48)55(49)40-20-6-1-7-21-40)63(61)58(43-26-12-4-13-27-43)53-32-18-19-33-54(53)59(63)44-28-14-5-15-29-44;60-62(56(40-21-5-1-6-22-40)51-33-17-18-34-52(51)57(62)41-23-7-2-8-24-41)45-37-44(55-49-31-15-13-29-47(49)48-30-14-16-32-50(48)55)38-46(39-45)63(61)58(42-25-9-3-10-26-42)53-35-19-20-36-54(53)59(63)43-27-11-4-12-28-43;53-54(51(34-17-3-1-4-18-34)47-29-15-16-30-48(47)52(54)35-19-5-2-6-20-35)38-32-36(49-43-25-11-7-21-39(43)40-22-8-12-26-44(40)49)31-37(33-38)50-45-27-13-9-23-41(45)42-24-10-14-28-46(42)50;40-41(30-25-23-27(24-26-30)37-33-19-9-7-17-31(33)32-18-8-10-20-34(32)37)38(28-13-3-1-4-14-28)35-21-11-12-22-36(35)39(41)29-15-5-2-6-16-29/h2*1-39H;1-33H;1-26H.
What are the key properties of 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 2964.16 g/mol, XLogP of 51.08, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 158143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).