6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole

C30H18N2O4 — CID 154697323

IUPAC6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2
InChIInChI=1S/C30H18N2O4/c33-32(34)25-15-7-5-13-21(25)23-18-22-20-12-4-6-14-24(20)31(19-10-2-1-3-11-19)28(22)30-29(23)35-26-16-8-9-17-27(26)36-30/h1-18H
InChIKeyYICUXGQCMCTVMA-UHFFFAOYSA-N
MW470.48 g/mol
LogP8.26
Rot. Bonds3

About 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole

6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole (PubChem CID 154697323) has the molecular formula C30H18N2O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole.

Molecular Properties

Compound Name6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
PubChem CID154697323
Molecular FormulaC30H18N2O4
Molecular Weight470.48 g/mol
Exact Mass470.13
IUPAC Name6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2
InChIInChI=1S/C30H18N2O4/c33-32(34)25-15-7-5-13-21(25)23-18-22-20-12-4-6-14-24(20)31(19-10-2-1-3-11-19)28(22)30-29(23)35-26-16-8-9-17-27(26)36-30/h1-18H
InChIKeyYICUXGQCMCTVMA-UHFFFAOYSA-N
XLogP8.26
TPSA66.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
CID 118197251
N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine
CID 154697324
6-(2-nitrophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;triphenylphosphane
CID 162122555
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
CID 126589976
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
CID 121299787
5-nitro-1-phenylquinolin-2-one
CID 90152623
1-(3-nitrophenyl)-9-phenylcarbazol-3-amine
CID 146318710
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole?
The IUPAC name of 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole (CID 154697323) is 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole.
What is the SMILES notation for 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole?
The canonical SMILES for 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole is O=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2c1Oc1ccccc1O2.
What is the InChIKey of 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole?
The InChIKey is YICUXGQCMCTVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O4/c33-32(34)25-15-7-5-13-21(25)23-18-22-20-12-4-6-14-24(20)31(19-10-2-1-3-11-19)28(22)30-29(23)35-26-16-8-9-17-27(26)36-30/h1-18H.
What are the key properties of 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole?
6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole has a molecular weight of 470.48 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole is sourced from PubChem (CID 154697323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).