10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene

C35H24NO3P — CID 12014335

IUPAC10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene
SMILESO=[N+]([O-])c1ccc(-c2c3c(c(P(=O)(c4ccccc4)c4ccccc4)c4ccccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C35H24NO3P/c37-36(38)26-21-19-24(20-22-26)33-30-17-9-10-18-31(30)35(32-23-25-11-7-8-16-29(25)34(32)33)40(39,27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-22H,23H2
InChIKeyAQRNLCMIFFZLFQ-UHFFFAOYSA-N
MW537.56 g/mol
LogP7.63
Rot. Bonds5

About 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene

10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene (PubChem CID 12014335) has the molecular formula C35H24NO3P and a molecular weight of 537.56 g/mol. Its IUPAC name is 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene
PubChem CID12014335
Molecular FormulaC35H24NO3P
Molecular Weight537.56 g/mol
Exact Mass537.15
IUPAC Name10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene
SMILESO=[N+]([O-])c1ccc(-c2c3c(c(P(=O)(c4ccccc4)c4ccccc4)c4ccccc24)Cc2ccccc2-3)cc1
InChIInChI=1S/C35H24NO3P/c37-36(38)26-21-19-24(20-22-26)33-30-17-9-10-18-31(30)35(32-23-25-11-7-8-16-29(25)34(32)33)40(39,27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-22H,23H2
InChIKeyAQRNLCMIFFZLFQ-UHFFFAOYSA-N
XLogP7.63
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.56
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
27-nitrooctacyclo[20.7.1.02,21.03,11.04,9.012,20.013,18.026,30]triaconta-1(30),2,4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene
CID 177480209
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
3-nitro-9,10-dihydrophenanthrene
CID 614448
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526

Frequently Asked Questions

What is the IUPAC name of 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene?
The IUPAC name of 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene (CID 12014335) is 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene.
What is the SMILES notation for 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene?
The canonical SMILES for 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene is O=[N+]([O-])c1ccc(-c2c3c(c(P(=O)(c4ccccc4)c4ccccc4)c4ccccc24)Cc2ccccc2-3)cc1.
What is the InChIKey of 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene?
The InChIKey is AQRNLCMIFFZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24NO3P/c37-36(38)26-21-19-24(20-22-26)33-30-17-9-10-18-31(30)35(32-23-25-11-7-8-16-29(25)34(32)33)40(39,27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-22H,23H2.
What are the key properties of 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene?
10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene has a molecular weight of 537.56 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diphenylphosphoryl-5-(4-nitrophenyl)-11H-benzo[b]fluorene is sourced from PubChem (CID 12014335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).