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

C50H41N4OP — CID 155236863

IUPAC2-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
SMILESCCCc1c(/C=C(\C)N2c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)P2(=O)c2ccccc2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C50H41N4OP/c1-3-19-45-43(41-26-13-15-28-46(41)51(45)37-20-7-4-8-21-37)34-36(2)53-49-30-17-18-31-50(49)54(56(53,55)40-24-11-6-12-25-40)39-32-33-48-44(35-39)42-27-14-16-29-47(42)52(48)38-22-9-5-10-23-38/h4-18,20-35H,3,19H2,1-2H3/b36-34+
InChIKeyYTPQZJIHJNDXCU-JMUUFCRMSA-N
MW744.88 g/mol
LogP13.22
Rot. Bonds8

About 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

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 (PubChem CID 155236863) has the molecular formula C50H41N4OP and a molecular weight of 744.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID155236863
Molecular FormulaC50H41N4OP
Molecular Weight744.88 g/mol
Exact Mass744.30
IUPAC Name2-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
SMILESCCCc1c(/C=C(\C)N2c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)P2(=O)c2ccccc2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C50H41N4OP/c1-3-19-45-43(41-26-13-15-28-46(41)51(45)37-20-7-4-8-21-37)34-36(2)53-49-30-17-18-31-50(49)54(56(53,55)40-24-11-6-12-25-40)39-32-33-48-44(35-39)42-27-14-16-29-47(42)52(48)38-22-9-5-10-23-38/h4-18,20-35H,3,19H2,1-2H3/b36-34+
InChIKeyYTPQZJIHJNDXCU-JMUUFCRMSA-N
XLogP13.22
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.88
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535949
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
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-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399956
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919
1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134536016
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-(2,2-difluoroethenyl)-9-phenylcarbazole
CID 169248919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1c(/C=C(\C)N2c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)P2(=O)c2ccccc2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is YTPQZJIHJNDXCU-JMUUFCRMSA-N. The full InChI is InChI=1S/C50H41N4OP/c1-3-19-45-43(41-26-13-15-28-46(41)51(45)37-20-7-4-8-21-37)34-36(2)53-49-30-17-18-31-50(49)54(56(53,55)40-24-11-6-12-25-40)39-32-33-48-44(35-39)42-27-14-16-29-47(42)52(48)38-22-9-5-10-23-38/h4-18,20-35H,3,19H2,1-2H3/b36-34+.
What are the key properties of 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?
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 has a molecular weight of 744.88 g/mol, XLogP of 13.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155236863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).