1-bromo-6-phenyl-5H-indolo[2,3-b]indole

C20H13BrN2 — CID 146360295

IUPAC1-bromo-6-phenyl-5H-indolo[2,3-b]indole
SMILESBrc1cccc2[nH]c3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C20H13BrN2/c21-15-10-6-11-16-19(15)18-14-9-4-5-12-17(14)23(20(18)22-16)13-7-2-1-3-8-13/h1-12,22H
InChIKeyCKAVJRZWVVTFGM-UHFFFAOYSA-N
MW361.24 g/mol
LogP6.03
Rot. Bonds1

About 1-bromo-6-phenyl-5H-indolo[2,3-b]indole

1-bromo-6-phenyl-5H-indolo[2,3-b]indole (PubChem CID 146360295) has the molecular formula C20H13BrN2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-bromo-6-phenyl-5H-indolo[2,3-b]indole.

Molecular Properties

Compound Name1-bromo-6-phenyl-5H-indolo[2,3-b]indole
PubChem CID146360295
Molecular FormulaC20H13BrN2
Molecular Weight361.24 g/mol
Exact Mass360.03
IUPAC Name1-bromo-6-phenyl-5H-indolo[2,3-b]indole
SMILESBrc1cccc2[nH]c3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C20H13BrN2/c21-15-10-6-11-16-19(15)18-14-9-4-5-12-17(14)23(20(18)22-16)13-7-2-1-3-8-13/h1-12,22H
InChIKeyCKAVJRZWVVTFGM-UHFFFAOYSA-N
XLogP6.03
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.24
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-bromo-6-phenyl-5H-indolo[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-6-phenyl-5H-indolo[2,3-b]indole
CID 146360267
11-bromo-5-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 174168470
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
CID 163799671
6-phenyl-7H-indolo[2,3-c]isoquinolin-5-one
CID 177421647
4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118034815
12-(2-bromophenyl)-5-phenylindolo[3,2-c]carbazole
CID 126652646
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 139336780
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
17-bromo-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 134338046
16-bromo-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
CID 87411988
4-iodo-9-phenylcarbazole
CID 126592391

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The IUPAC name of 1-bromo-6-phenyl-5H-indolo[2,3-b]indole (CID 146360295) is 1-bromo-6-phenyl-5H-indolo[2,3-b]indole.
What is the SMILES notation for 1-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The canonical SMILES for 1-bromo-6-phenyl-5H-indolo[2,3-b]indole is Brc1cccc2[nH]c3c(c4ccccc4n3-c3ccccc3)c12.
What is the InChIKey of 1-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The InChIKey is CKAVJRZWVVTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2/c21-15-10-6-11-16-19(15)18-14-9-4-5-12-17(14)23(20(18)22-16)13-7-2-1-3-8-13/h1-12,22H.
What are the key properties of 1-bromo-6-phenyl-5H-indolo[2,3-b]indole?
1-bromo-6-phenyl-5H-indolo[2,3-b]indole has a molecular weight of 361.24 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-phenyl-5H-indolo[2,3-b]indole is sourced from PubChem (CID 146360295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).