2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide

C38H28NO2P — CID 130356002

IUPAC2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide
SMILESCC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3O4)cc21
InChIInChI=1S/C38H28NO2P/c1-38(2)32-21-25(14-17-30(32)31-18-15-26(22-33(31)38)28-9-8-20-39-24-28)27-16-19-35-37(23-27)42(40,29-10-4-3-5-11-29)36-13-7-6-12-34(36)41-35/h3-24H,1-2H3
InChIKeyZPJCQQWWOICINJ-UHFFFAOYSA-N
MW561.62 g/mol
LogP8.47
Rot. Bonds3

About 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide

2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide (PubChem CID 130356002) has the molecular formula C38H28NO2P and a molecular weight of 561.62 g/mol. Its IUPAC name is 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide
PubChem CID130356002
Molecular FormulaC38H28NO2P
Molecular Weight561.62 g/mol
Exact Mass561.19
IUPAC Name2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide
SMILESCC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3O4)cc21
InChIInChI=1S/C38H28NO2P/c1-38(2)32-21-25(14-17-30(32)31-18-15-26(22-33(31)38)28-9-8-20-39-24-28)27-16-19-35-37(23-27)42(40,29-10-4-3-5-11-29)36-13-7-6-12-34(36)41-35/h3-24H,1-2H3
InChIKeyZPJCQQWWOICINJ-UHFFFAOYSA-N
XLogP8.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.62
LogP ≤ 58.47
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

10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
CID 130355946
10-phenyl-2-(10-pyridin-3-ylanthracen-9-yl)phenoxaphosphinine 10-oxide
CID 130355985
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-14-phenyl-21-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide
CID 146834324
10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
CID 130355974
10-(4-pyridin-3-ylphenyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220079
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2,8-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenophosphazinine 10-oxide;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(3-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 159948253
2-(10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 134571501
3-[6-[3-(benzenesulfinyl)phenyl]-9,9-dimethylxanthen-3-yl]pyridine
CID 121296805
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide?
The IUPAC name of 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide (CID 130356002) is 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide.
What is the SMILES notation for 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide?
The canonical SMILES for 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide is CC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3ccc4c(c3)P(=O)(c3ccccc3)c3ccccc3O4)cc21.
What is the InChIKey of 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide?
The InChIKey is ZPJCQQWWOICINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28NO2P/c1-38(2)32-21-25(14-17-30(32)31-18-15-26(22-33(31)38)28-9-8-20-39-24-28)27-16-19-35-37(23-27)42(40,29-10-4-3-5-11-29)36-13-7-6-12-34(36)41-35/h3-24H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide?
2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide has a molecular weight of 561.62 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)-10-phenylphenoxaphosphinine 10-oxide is sourced from PubChem (CID 130356002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).