2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole

C26H17BrN2 — CID 142731215

IUPAC2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole
SMILESBrc1ccc2[nH]c3c(-c4cccc(-c5ccccc5)c4)n4ccccc4c3c2c1
InChIInChI=1S/C26H17BrN2/c27-20-12-13-22-21(16-20)24-23-11-4-5-14-29(23)26(25(24)28-22)19-10-6-9-18(15-19)17-7-2-1-3-8-17/h1-16,28H
InChIKeyJBVMESOUGOZJHD-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.67
Rot. Bonds2

About 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole

2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole (PubChem CID 142731215) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole.

Molecular Properties

Compound Name2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole
PubChem CID142731215
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole
SMILESBrc1ccc2[nH]c3c(-c4cccc(-c5ccccc5)c4)n4ccccc4c3c2c1
InChIInChI=1S/C26H17BrN2/c27-20-12-13-22-21(16-20)24-23-11-4-5-14-29(23)26(25(24)28-22)19-10-6-9-18(15-19)17-7-2-1-3-8-17/h1-16,28H
InChIKeyJBVMESOUGOZJHD-UHFFFAOYSA-N
XLogP7.67
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-carbazol-9-yl-6-phenyl-5H-indolizino[2,1-b]indole
CID 142731155
6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
CID 142731093
17-bromo-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 88867954
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555
6-bromo-2-phenyl-9H-carbazole
CID 118493011
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
3-(3-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 134602344
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole
CID 130303982

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole?
The IUPAC name of 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole (CID 142731215) is 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole.
What is the SMILES notation for 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole?
The canonical SMILES for 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole is Brc1ccc2[nH]c3c(-c4cccc(-c5ccccc5)c4)n4ccccc4c3c2c1.
What is the InChIKey of 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole?
The InChIKey is JBVMESOUGOZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-20-12-13-22-21(16-20)24-23-11-4-5-14-29(23)26(25(24)28-22)19-10-6-9-18(15-19)17-7-2-1-3-8-17/h1-16,28H.
What are the key properties of 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole?
2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole has a molecular weight of 437.34 g/mol, XLogP of 7.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole is sourced from PubChem (CID 142731215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).