7-bromo-5-phenylpyrido[4,3-b]indole

C17H11BrN2 — CID 129221574

IUPAC7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H
InChIKeyBHOYHRSPDWWSAL-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.94
Rot. Bonds1

About 7-bromo-5-phenylpyrido[4,3-b]indole

7-bromo-5-phenylpyrido[4,3-b]indole (PubChem CID 129221574) has the molecular formula C17H11BrN2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-bromo-5-phenylpyrido[4,3-b]indole
PubChem CID129221574
Molecular FormulaC17H11BrN2
Molecular Weight323.19 g/mol
Exact Mass322.01
IUPAC Name7-bromo-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc2c3cnccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H
InChIKeyBHOYHRSPDWWSAL-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole
CID 161314479
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole
CID 118587991
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 144750472

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 7-bromo-5-phenylpyrido[4,3-b]indole (CID 129221574) is 7-bromo-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 7-bromo-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 7-bromo-5-phenylpyrido[4,3-b]indole is Brc1ccc2c3cnccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-bromo-5-phenylpyrido[4,3-b]indole?
The InChIKey is BHOYHRSPDWWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2/c18-12-6-7-14-15-11-19-9-8-16(15)20(17(14)10-12)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 7-bromo-5-phenylpyrido[4,3-b]indole?
7-bromo-5-phenylpyrido[4,3-b]indole has a molecular weight of 323.19 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 129221574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).