6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole

C40H26Br2N4O2 — CID 160594528

IUPAC6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4ccn(-c5ccccc5)c43)c2c1.O=[N+]([O-])c1ccc(Br)cc1-c1ccc2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrN2O2.C20H13BrN2/c21-16-8-9-19(23(24)25)18(13-16)15-7-6-14-10-11-22(20(14)12-15)17-4-2-1-3-5-17;21-14-7-9-18-17(12-14)16-8-6-13-10-11-23(20(13)19(16)22-18)15-4-2-1-3-5-15/h1-13H;1-12,22H
InChIKeyRDLMOTIZPGKNQD-UHFFFAOYSA-N
MW754.48 g/mol
LogP12.00
Rot. Bonds4

About 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole

6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole (PubChem CID 160594528) has the molecular formula C40H26Br2N4O2 and a molecular weight of 754.48 g/mol. Its IUPAC name is 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
PubChem CID160594528
Molecular FormulaC40H26Br2N4O2
Molecular Weight754.48 g/mol
Exact Mass752.04
IUPAC Name6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4ccn(-c5ccccc5)c43)c2c1.O=[N+]([O-])c1ccc(Br)cc1-c1ccc2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrN2O2.C20H13BrN2/c21-16-8-9-19(23(24)25)18(13-16)15-7-6-14-10-11-22(20(14)12-15)17-4-2-1-3-5-17;21-14-7-9-18-17(12-14)16-8-6-13-10-11-23(20(13)19(16)22-18)15-4-2-1-3-5-15/h1-13H;1-12,22H
InChIKeyRDLMOTIZPGKNQD-UHFFFAOYSA-N
XLogP12.00
TPSA68.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.48
LogP ≤ 512.00
H-Bond Donors ≤ 51
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

6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
CID 159920528
7-(2-nitrophenyl)-1-phenylindole;1-phenyl-6H-pyrrolo[3,2-c]carbazole;triphenylphosphane
CID 161056830
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
7-(5-bromo-2-nitrophenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
CID 142323826
3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 161092748
(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 161358553
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223157
1-bromo-3-(trifluoromethyl)benzene;5-(2-nitrophenyl)-1H-indole;5-(2-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]indole
CID 160810247
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
11-(5-bromo-2-nitrophenyl)-8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
CID 90177174
5-(5-bromo-2-nitrophenyl)-1H-indazole
CID 90219551

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The IUPAC name of 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole (CID 160594528) is 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The canonical SMILES for 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole is Brc1ccc2[nH]c3c(ccc4ccn(-c5ccccc5)c43)c2c1.O=[N+]([O-])c1ccc(Br)cc1-c1ccc2ccn(-c3ccccc3)c2c1.
What is the InChIKey of 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The InChIKey is RDLMOTIZPGKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O2.C20H13BrN2/c21-16-8-9-19(23(24)25)18(13-16)15-7-6-14-10-11-22(20(14)12-15)17-4-2-1-3-5-17;21-14-7-9-18-17(12-14)16-8-6-13-10-11-23(20(13)19(16)22-18)15-4-2-1-3-5-15/h1-13H;1-12,22H.
What are the key properties of 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole?
6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole has a molecular weight of 754.48 g/mol, XLogP of 12.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-nitrophenyl)-1-phenylindole;7-bromo-1-phenyl-10H-pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 160594528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).