2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide

C25H23BrN2 — CID 67320764

IUPAC2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide
SMILESBr.C1=CN(Cc2ccccc2)Cc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C25H22N2.BrH/c1-3-9-20(10-4-1)17-26-16-15-23-22-13-7-8-14-24(22)27(25(23)19-26)18-21-11-5-2-6-12-21;/h1-16H,17-19H2;1H
InChIKeyUKOFWWWFSSPGRF-UHFFFAOYSA-N
MW431.38 g/mol
LogP6.25
Rot. Bonds4

About 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide

2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide (PubChem CID 67320764) has the molecular formula C25H23BrN2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide.

Molecular Properties

Compound Name2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide
PubChem CID67320764
Molecular FormulaC25H23BrN2
Molecular Weight431.38 g/mol
Exact Mass430.10
IUPAC Name2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide
SMILESBr.C1=CN(Cc2ccccc2)Cc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C25H22N2.BrH/c1-3-9-20(10-4-1)17-26-16-15-23-22-13-7-8-14-24(22)27(25(23)19-26)18-21-11-5-2-6-12-21;/h1-16H,17-19H2;1H
InChIKeyUKOFWWWFSSPGRF-UHFFFAOYSA-N
XLogP6.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylindole-2,3-diamine
CID 142192316
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
2,9-dibenzyl-1-bromo-1-(2-chlorophenyl)pyrido[3,4-b]indole
CID 175008768
1,2-dibenzyl-9-[(4-fluorophenyl)methyl]-1H-pyrido[3,4-b]indole
CID 160648476
2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
CID 134117126
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
10-benzyl-[1]benzothiolo[3,2-b]indole
CID 71481554
N,10-dibenzylacridin-9-imine
CID 71402054
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carbonitrile
CID 10566218
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756

Frequently Asked Questions

What is the IUPAC name of 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide?
The IUPAC name of 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide (CID 67320764) is 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide.
What is the SMILES notation for 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide?
The canonical SMILES for 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide is Br.C1=CN(Cc2ccccc2)Cc2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide?
The InChIKey is UKOFWWWFSSPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2.BrH/c1-3-9-20(10-4-1)17-26-16-15-23-22-13-7-8-14-24(22)27(25(23)19-26)18-21-11-5-2-6-12-21;/h1-16H,17-19H2;1H.
What are the key properties of 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide?
2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide has a molecular weight of 431.38 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dibenzyl-1H-pyrido[3,4-b]indole;hydrobromide is sourced from PubChem (CID 67320764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).