N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine

C39H32N3OP — CID 146263481

IUPACN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc4c(c3)N(c3ccccc3)P(=O)(c3ccccc3)N4c3ccccc3)cccc21
InChIInChI=1S/C39H32N3OP/c1-39(2)33-22-13-12-21-32(33)38-34(39)23-14-24-35(38)40-28-25-26-36-37(27-28)42(30-17-8-4-9-18-30)44(43,31-19-10-5-11-20-31)41(36)29-15-6-3-7-16-29/h3-27,40H,1-2H3
InChIKeyWGEGRKXQDOGNIE-UHFFFAOYSA-N
MW589.68 g/mol
LogP10.54
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine

N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine (PubChem CID 146263481) has the molecular formula C39H32N3OP and a molecular weight of 589.68 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine
PubChem CID146263481
Molecular FormulaC39H32N3OP
Molecular Weight589.68 g/mol
Exact Mass589.23
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc4c(c3)N(c3ccccc3)P(=O)(c3ccccc3)N4c3ccccc3)cccc21
InChIInChI=1S/C39H32N3OP/c1-39(2)33-22-13-12-21-32(33)38-34(39)23-14-24-35(38)40-28-25-26-36-37(27-28)42(30-17-8-4-9-18-30)44(43,31-19-10-5-11-20-31)41(36)29-15-6-3-7-16-29/h3-27,40H,1-2H3
InChIKeyWGEGRKXQDOGNIE-UHFFFAOYSA-N
XLogP10.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.68
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine with MolForge

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Related Compounds

5-bromo-1-(9,9-dimethylfluoren-4-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535812
N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
CID 134521867
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
5-bromo-1-(9,9-dimethylfluoren-1-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535975
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
1,3-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 142351739
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
5-bromo-2-cyclohexa-1,5-dien-1-yl-1-(9,9-dimethylfluoren-4-yl)-3-phenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 155236868
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
CID 174104017
CID 174104017

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine (CID 146263481) is N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine is CC1(C)c2ccccc2-c2c(Nc3ccc4c(c3)N(c3ccccc3)P(=O)(c3ccccc3)N4c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine?
The InChIKey is WGEGRKXQDOGNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N3OP/c1-39(2)33-22-13-12-21-32(33)38-34(39)23-14-24-35(38)40-28-25-26-36-37(27-28)42(30-17-8-4-9-18-30)44(43,31-19-10-5-11-20-31)41(36)29-15-6-3-7-16-29/h3-27,40H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine?
N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine has a molecular weight of 589.68 g/mol, XLogP of 10.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphol-5-amine is sourced from PubChem (CID 146263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).