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

C20H13BrN2 — CID 146360267

IUPAC3-bromo-6-phenyl-5H-indolo[2,3-b]indole
SMILESBrc1ccc2c(c1)[nH]c1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H13BrN2/c21-13-10-11-15-17(12-13)22-20-19(15)16-8-4-5-9-18(16)23(20)14-6-2-1-3-7-14/h1-12,22H
InChIKeyXFNBEDJRKICOST-UHFFFAOYSA-N
MW361.24 g/mol
LogP6.03
Rot. Bonds1

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

3-bromo-6-phenyl-5H-indolo[2,3-b]indole (PubChem CID 146360267) has the molecular formula C20H13BrN2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-bromo-6-phenyl-5H-indolo[2,3-b]indole.

Molecular Properties

Compound Name3-bromo-6-phenyl-5H-indolo[2,3-b]indole
PubChem CID146360267
Molecular FormulaC20H13BrN2
Molecular Weight361.24 g/mol
Exact Mass360.03
IUPAC Name3-bromo-6-phenyl-5H-indolo[2,3-b]indole
SMILESBrc1ccc2c(c1)[nH]c1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H13BrN2/c21-13-10-11-15-17(12-13)22-20-19(15)16-8-4-5-9-18(16)23(20)14-6-2-1-3-7-14/h1-12,22H
InChIKeyXFNBEDJRKICOST-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

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Related Compounds

1-bromo-6-phenyl-5H-indolo[2,3-b]indole
CID 146360295
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
5-bromo-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 142712012
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
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
4-(4-bromophenyl)furo[3,4-b]indole
CID 142722869
6-phenyl-7H-indolo[2,3-c]isoquinolin-5-one
CID 177421647
9-(7-bromo-9,9,10,10-tetramethylanthracen-2-yl)-14-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 153445556
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
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
6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140955524
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The IUPAC name of 3-bromo-6-phenyl-5H-indolo[2,3-b]indole (CID 146360267) is 3-bromo-6-phenyl-5H-indolo[2,3-b]indole.
What is the SMILES notation for 3-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The canonical SMILES for 3-bromo-6-phenyl-5H-indolo[2,3-b]indole is Brc1ccc2c(c1)[nH]c1c2c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-bromo-6-phenyl-5H-indolo[2,3-b]indole?
The InChIKey is XFNBEDJRKICOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2/c21-13-10-11-15-17(12-13)22-20-19(15)16-8-4-5-9-18(16)23(20)14-6-2-1-3-7-14/h1-12,22H.
What are the key properties of 3-bromo-6-phenyl-5H-indolo[2,3-b]indole?
3-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 3-bromo-6-phenyl-5H-indolo[2,3-b]indole is sourced from PubChem (CID 146360267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).