5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C52H34N3OP — CID 121310206

IUPAC5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C52H34N3OP/c56-57(41-18-8-3-9-19-41)49-23-13-11-21-43(49)45-32-48-44(33-50(45)57)42-20-10-12-22-47(42)55(48)51-34-46(39-28-24-37(25-29-39)35-14-4-1-5-15-35)53-52(54-51)40-30-26-38(27-31-40)36-16-6-2-7-17-36/h1-34H
InChIKeyDZLHGCSNUHFCKM-UHFFFAOYSA-N
MW747.84 g/mol
LogP11.86
Rot. Bonds6

About 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310206) has the molecular formula C52H34N3OP and a molecular weight of 747.84 g/mol. Its IUPAC name is 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

Compound Name5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
PubChem CID121310206
Molecular FormulaC52H34N3OP
Molecular Weight747.84 g/mol
Exact Mass747.24
IUPAC Name5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C52H34N3OP/c56-57(41-18-8-3-9-19-41)49-23-13-11-21-43(49)45-32-48-44(33-50(45)57)42-20-10-12-22-47(42)55(48)51-34-46(39-28-24-37(25-29-39)35-14-4-1-5-15-35)53-52(54-51)40-30-26-38(27-31-40)36-16-6-2-7-17-36/h1-34H
InChIKeyDZLHGCSNUHFCKM-UHFFFAOYSA-N
XLogP11.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.84
LogP ≤ 511.86
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

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310284
5-(2,6-diphenyl-4-pyridinyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-(4,6-diphenyl-2-pyridinyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-(4,6-diphenylpyrimidin-2-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 159279384
10-(2,6-diphenylpyrimidin-4-yl)-14,15-diphenyl-10,14-diaza-15λ5-phosphapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaene 15-oxide
CID 162698891
23-phenyl-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-12-aza-23λ5-phosphahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene 23-oxide
CID 121310732
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121310285
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
4-[2,6-bis[3-(5-oxo-5-phenylbenzo[b]phosphindol-2-yl)carbazol-9-yl]pyrimidin-4-yl]benzonitrile
CID 118259396
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310315
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584
11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 121310222

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The IUPAC name of 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310206) is 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.
What is the SMILES notation for 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The canonical SMILES for 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The InChIKey is DZLHGCSNUHFCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N3OP/c56-57(41-18-8-3-9-19-41)49-23-13-11-21-43(49)45-32-48-44(33-50(45)57)42-20-10-12-22-47(42)55(48)51-34-46(39-28-24-37(25-29-39)35-14-4-1-5-15-35)53-52(54-51)40-30-26-38(27-31-40)36-16-6-2-7-17-36/h1-34H.
What are the key properties of 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 747.84 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).