2,3-difluoro-5H-benzo[b]carbazole-6,11-dione

C16H7F2NO2 — CID 149338155

IUPAC2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c1cc(F)c(F)cc21
InChIInChI=1S/C16H7F2NO2/c17-10-5-9-12(6-11(10)18)19-14-13(9)15(20)7-3-1-2-4-8(7)16(14)21/h1-6,19H
InChIKeyYDQOQKVQALAIFN-UHFFFAOYSA-N
MW283.23 g/mol
LogP3.22
Rot. Bonds

About 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione

2,3-difluoro-5H-benzo[b]carbazole-6,11-dione (PubChem CID 149338155) has the molecular formula C16H7F2NO2 and a molecular weight of 283.23 g/mol. Its IUPAC name is 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
PubChem CID149338155
Molecular FormulaC16H7F2NO2
Molecular Weight283.23 g/mol
Exact Mass283.04
IUPAC Name2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c1cc(F)c(F)cc21
InChIInChI=1S/C16H7F2NO2/c17-10-5-9-12(6-11(10)18)19-14-13(9)15(20)7-3-1-2-4-8(7)16(14)21/h1-6,19H
InChIKeyYDQOQKVQALAIFN-UHFFFAOYSA-N
XLogP3.22
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
5H-indeno[1,2-b]indol-10-one
CID 2785776
methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
CID 170638986
7H-benzo[c]carbazole-5,6-dione
CID 11207363
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
CID 170638975
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922
8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200944
1H-benzo[g]quinazoline-2,4,5,10-tetrone
CID 69220020
4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
CID 162846113
9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200936
16-chloro-17-fluoro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
CID 162654017
1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione (CID 149338155) is 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione is O=C1c2ccccc2C(=O)c2c1[nH]c1cc(F)c(F)cc21.
What is the InChIKey of 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione?
The InChIKey is YDQOQKVQALAIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F2NO2/c17-10-5-9-12(6-11(10)18)19-14-13(9)15(20)7-3-1-2-4-8(7)16(14)21/h1-6,19H.
What are the key properties of 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione?
2,3-difluoro-5H-benzo[b]carbazole-6,11-dione has a molecular weight of 283.23 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 149338155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).