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

C51H40N3OP — CID 134521867

IUPACN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)N(c3ccccc3)P(=O)(c3ccccc3)N4c3ccccc3)cccc21
InChIInChI=1S/C51H40N3OP/c1-51(2)45-27-16-15-26-44(45)50-46(51)28-17-29-48(50)52(39-32-30-38(31-33-39)37-18-7-3-8-19-37)42-34-35-47-49(36-42)54(41-22-11-5-12-23-41)56(55,43-24-13-6-14-25-43)53(47)40-20-9-4-10-21-40/h3-36H,1-2H3
InChIKeyMJQOUZNFAGCNGW-UHFFFAOYSA-N
MW741.88 g/mol
LogP13.94
Rot. Bonds7

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

N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine (PubChem CID 134521867) has the molecular formula C51H40N3OP and a molecular weight of 741.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
PubChem CID134521867
Molecular FormulaC51H40N3OP
Molecular Weight741.88 g/mol
Exact Mass741.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)N(c3ccccc3)P(=O)(c3ccccc3)N4c3ccccc3)cccc21
InChIInChI=1S/C51H40N3OP/c1-51(2)45-27-16-15-26-44(45)50-46(51)28-17-29-48(50)52(39-32-30-38(31-33-39)37-18-7-3-8-19-37)42-34-35-47-49(36-42)54(41-22-11-5-12-23-41)56(55,43-24-13-6-14-25-43)53(47)40-20-9-4-10-21-40/h3-36H,1-2H3
InChIKeyMJQOUZNFAGCNGW-UHFFFAOYSA-N
XLogP13.94
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.88
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
5-bromo-1-(9,9-dimethylfluoren-4-yl)-2,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535812
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine (CID 134521867) is N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(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-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine?
The InChIKey is MJQOUZNFAGCNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N3OP/c1-51(2)45-27-16-15-26-44(45)50-46(51)28-17-29-48(50)52(39-32-30-38(31-33-39)37-18-7-3-8-19-37)42-34-35-47-49(36-42)54(41-22-11-5-12-23-41)56(55,43-24-13-6-14-25-43)53(47)40-20-9-4-10-21-40/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine?
N-(9,9-dimethylfluoren-4-yl)-2-oxo-1,2,3-triphenyl-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine has a molecular weight of 741.88 g/mol, XLogP of 13.94, 7 rotatable bonds, 0 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-N-(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphol-5-amine is sourced from PubChem (CID 134521867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).