5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide

C54H34N3OP — CID 89472173

IUPAC5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
SMILESO=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3cc21
InChIInChI=1S/C54H34N3OP/c58-59(38-28-30-51-44(32-38)40-20-8-12-24-48(40)56(51)36-17-5-2-6-18-36)53-26-14-10-22-42(53)46-33-45-41-21-9-13-25-49(41)57(52(45)34-54(46)59)37-27-29-50-43(31-37)39-19-7-11-23-47(39)55(50)35-15-3-1-4-16-35/h1-34H
InChIKeyDWEOTTIYQNHLPK-UHFFFAOYSA-N
MW771.86 g/mol
LogP12.60
Rot. Bonds4

About 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide

5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide (PubChem CID 89472173) has the molecular formula C54H34N3OP and a molecular weight of 771.86 g/mol. Its IUPAC name is 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide.

Molecular Properties

Compound Name5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
PubChem CID89472173
Molecular FormulaC54H34N3OP
Molecular Weight771.86 g/mol
Exact Mass771.24
IUPAC Name5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
SMILESO=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3cc21
InChIInChI=1S/C54H34N3OP/c58-59(38-28-30-51-44(32-38)40-20-8-12-24-48(40)56(51)36-17-5-2-6-18-36)53-26-14-10-22-42(53)46-33-45-41-21-9-13-25-49(41)57(52(45)34-54(46)59)37-27-29-50-43(31-37)39-19-7-11-23-47(39)55(50)35-15-3-1-4-16-35/h1-34H
InChIKeyDWEOTTIYQNHLPK-UHFFFAOYSA-N
XLogP12.60
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.86
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
CID 140680733
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
5,11-diphenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(2-phenylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 158937555
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310315
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
5-phenanthren-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-phenanthren-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-phenanthren-9-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 158880248
11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 121310222
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide?
The IUPAC name of 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide (CID 89472173) is 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide.
What is the SMILES notation for 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide?
The canonical SMILES for 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide is O=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3cc21.
What is the InChIKey of 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide?
The InChIKey is DWEOTTIYQNHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N3OP/c58-59(38-28-30-51-44(32-38)40-20-8-12-24-48(40)56(51)36-17-5-2-6-18-36)53-26-14-10-22-42(53)46-33-45-41-21-9-13-25-49(41)57(52(45)34-54(46)59)37-27-29-50-43(31-37)39-19-7-11-23-47(39)55(50)35-15-3-1-4-16-35/h1-34H.
What are the key properties of 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide?
5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide has a molecular weight of 771.86 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide is sourced from PubChem (CID 89472173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).