6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole

C28H24Br2N4 — CID 71539375

IUPAC6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3cc(Br)ccc3n(CCCCCn3c4ccc(Br)cc4c4ccncc43)c12
InChIInChI=1S/C28H24Br2N4/c1-18-28-22(10-12-32-18)24-16-20(30)6-8-26(24)34(28)14-4-2-3-13-33-25-7-5-19(29)15-23(25)21-9-11-31-17-27(21)33/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyFVVSNCLSRHBYDK-UHFFFAOYSA-N
MW576.34 g/mol
LogP8.40
Rot. Bonds6

About 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole

6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole (PubChem CID 71539375) has the molecular formula C28H24Br2N4 and a molecular weight of 576.34 g/mol. Its IUPAC name is 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
PubChem CID71539375
Molecular FormulaC28H24Br2N4
Molecular Weight576.34 g/mol
Exact Mass574.04
IUPAC Name6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3cc(Br)ccc3n(CCCCCn3c4ccc(Br)cc4c4ccncc43)c12
InChIInChI=1S/C28H24Br2N4/c1-18-28-22(10-12-32-18)24-16-20(30)6-8-26(24)34(28)14-4-2-3-13-33-25-7-5-19(29)15-23(25)21-9-11-31-17-27(21)33/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyFVVSNCLSRHBYDK-UHFFFAOYSA-N
XLogP8.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.34
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole with MolForge

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Related Compounds

1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
6-bromo-9-[(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)methyl]-1-methylpyrido[3,4-b]indole;6-bromo-1-methyl-9H-pyrido[3,4-b]indole
CID 158917289
7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole;hydrobromide
CID 46907529
N-[9-(4-aminobutyl)-1-methylpyrido[3,4-b]indol-7-yl]methanesulfonamide
CID 54575716
6-bromo-9-methylpyrido[3,4-b]indol-1-amine
CID 115051036
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole (CID 71539375) is 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole is Cc1nccc2c3cc(Br)ccc3n(CCCCCn3c4ccc(Br)cc4c4ccncc43)c12.
What is the InChIKey of 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is FVVSNCLSRHBYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Br2N4/c1-18-28-22(10-12-32-18)24-16-20(30)6-8-26(24)34(28)14-4-2-3-13-33-25-7-5-19(29)15-23(25)21-9-11-31-17-27(21)33/h5-12,15-17H,2-4,13-14H2,1H3.
What are the key properties of 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 576.34 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 71539375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).