4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole

C32H21N3O2 — CID 118197251

IUPAC4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1c1c(c3ccccc3n1-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C32H21N3O2/c36-35(37)28-20-10-7-16-24(28)25-18-11-21-29-30(25)32-31(34(29)23-14-5-2-6-15-23)26-17-8-9-19-27(26)33(32)22-12-3-1-4-13-22/h1-21H
InChIKeyWTTZZJWGSVWIEI-UHFFFAOYSA-N
MW479.54 g/mol
LogP8.30
Rot. Bonds4

About 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole

4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole (PubChem CID 118197251) has the molecular formula C32H21N3O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole.

Molecular Properties

Compound Name4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
PubChem CID118197251
Molecular FormulaC32H21N3O2
Molecular Weight479.54 g/mol
Exact Mass479.16
IUPAC Name4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1c1c(c3ccccc3n1-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C32H21N3O2/c36-35(37)28-20-10-7-16-24(28)25-18-11-21-29-30(25)32-31(34(29)23-14-5-2-6-15-23)26-17-8-9-19-27(26)33(32)22-12-3-1-4-13-22/h1-21H
InChIKeyWTTZZJWGSVWIEI-UHFFFAOYSA-N
XLogP8.30
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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CID 142725520
6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
CID 154697323
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116
4-(1-nitronaphthalen-2-yl)-9-phenylcarbazole
CID 142290576
5-nitro-1-phenylquinolin-2-one
CID 90152623
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144609323
9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
CID 121299787
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole?
The IUPAC name of 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole (CID 118197251) is 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole.
What is the SMILES notation for 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole?
The canonical SMILES for 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole is O=[N+]([O-])c1ccccc1-c1cccc2c1c1c(c3ccccc3n1-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole?
The InChIKey is WTTZZJWGSVWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O2/c36-35(37)28-20-10-7-16-24(28)25-18-11-21-29-30(25)32-31(34(29)23-14-5-2-6-15-23)26-17-8-9-19-27(26)33(32)22-12-3-1-4-13-22/h1-21H.
What are the key properties of 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole?
4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole has a molecular weight of 479.54 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole is sourced from PubChem (CID 118197251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).