2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole

C22H14BrNS — CID 141396676

IUPAC2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole
SMILESBrc1cc2c(s1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H14BrNS/c23-21-14-20-22(25-21)18-8-4-5-9-19(18)24(20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChIKeyGPTYHFZKAQPMJR-UHFFFAOYSA-N
MW404.33 g/mol
LogP7.27
Rot. Bonds2

About 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole

2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole (PubChem CID 141396676) has the molecular formula C22H14BrNS and a molecular weight of 404.33 g/mol. Its IUPAC name is 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole.

Molecular Properties

Compound Name2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole
PubChem CID141396676
Molecular FormulaC22H14BrNS
Molecular Weight404.33 g/mol
Exact Mass403.00
IUPAC Name2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole
SMILESBrc1cc2c(s1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H14BrNS/c23-21-14-20-22(25-21)18-8-4-5-9-19(18)24(20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChIKeyGPTYHFZKAQPMJR-UHFFFAOYSA-N
XLogP7.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.33
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
CID 144587911
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
4-bromo-10-(10-bromo-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90078424
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole?
The IUPAC name of 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole (CID 141396676) is 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole.
What is the SMILES notation for 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole?
The canonical SMILES for 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole is Brc1cc2c(s1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole?
The InChIKey is GPTYHFZKAQPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNS/c23-21-14-20-22(25-21)18-8-4-5-9-19(18)24(20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole?
2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole has a molecular weight of 404.33 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-phenylphenyl)thieno[3,2-b]indole is sourced from PubChem (CID 141396676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).