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

C50H32N3OP — CID 121310732

IUPAC23-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
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1c2ccccc2ccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C50H32N3OP/c54-55(38-19-8-3-9-20-38)45-23-13-12-22-40(45)41-29-31-44-48(49(41)55)47-39-21-11-10-16-35(39)28-30-43(47)53(44)46-32-42(51-50(52-46)37-17-6-2-7-18-37)36-26-24-34(25-27-36)33-14-4-1-5-15-33/h1-32H
InChIKeyFMNDBYQAUPRUMU-UHFFFAOYSA-N
MW721.80 g/mol
LogP11.35
Rot. Bonds5

About 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

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 (PubChem CID 121310732) has the molecular formula C50H32N3OP and a molecular weight of 721.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-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
PubChem CID121310732
Molecular FormulaC50H32N3OP
Molecular Weight721.80 g/mol
Exact Mass721.23
IUPAC Name23-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
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1c2ccccc2ccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C50H32N3OP/c54-55(38-19-8-3-9-20-38)45-23-13-12-22-40(45)41-29-31-44-48(49(41)55)47-39-21-11-10-16-35(39)28-30-43(47)53(44)46-32-42(51-50(52-46)37-17-6-2-7-18-37)36-26-24-34(25-27-36)33-14-4-1-5-15-33/h1-32H
InChIKeyFMNDBYQAUPRUMU-UHFFFAOYSA-N
XLogP11.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.80
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584
5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310206
5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261
24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
CID 121310541
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
7-(2,6-diphenylpyrimidin-4-yl)-3-phenanthren-2-ylbenzo[c]carbazole
CID 130350785
7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 159963707
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385468
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1c2ccccc2ccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is FMNDBYQAUPRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N3OP/c54-55(38-19-8-3-9-20-38)45-23-13-12-22-40(45)41-29-31-44-48(49(41)55)47-39-21-11-10-16-35(39)28-30-43(47)53(44)46-32-42(51-50(52-46)37-17-6-2-7-18-37)36-26-24-34(25-27-36)33-14-4-1-5-15-33/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 721.80 g/mol, XLogP of 11.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121310732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).