9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole

C28H17BrN4 — CID 176634699

IUPAC9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
SMILESBrc1cccc(-n2c3ccccc3c3ccncc32)c1-n1c2ccccc2c2ccncc21
InChIInChI=1S/C28H17BrN4/c29-22-8-5-11-25(32-23-9-3-1-6-18(23)20-12-14-30-16-26(20)32)28(22)33-24-10-4-2-7-19(24)21-13-15-31-17-27(21)33/h1-17H
InChIKeyRNZFKRARDMNKFF-UHFFFAOYSA-N
MW489.38 g/mol
LogP7.43
Rot. Bonds2

About 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole

9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole (PubChem CID 176634699) has the molecular formula C28H17BrN4 and a molecular weight of 489.38 g/mol. Its IUPAC name is 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
PubChem CID176634699
Molecular FormulaC28H17BrN4
Molecular Weight489.38 g/mol
Exact Mass488.06
IUPAC Name9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
SMILESBrc1cccc(-n2c3ccccc3c3ccncc32)c1-n1c2ccccc2c2ccncc21
InChIInChI=1S/C28H17BrN4/c29-22-8-5-11-25(32-23-9-3-1-6-18(23)20-12-14-30-16-26(20)32)28(22)33-24-10-4-2-7-19(24)21-13-15-31-17-27(21)33/h1-17H
InChIKeyRNZFKRARDMNKFF-UHFFFAOYSA-N
XLogP7.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole (CID 176634699) is 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole is Brc1cccc(-n2c3ccccc3c3ccncc32)c1-n1c2ccccc2c2ccncc21.
What is the InChIKey of 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole?
The InChIKey is RNZFKRARDMNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrN4/c29-22-8-5-11-25(32-23-9-3-1-6-18(23)20-12-14-30-16-26(20)32)28(22)33-24-10-4-2-7-19(24)21-13-15-31-17-27(21)33/h1-17H.
What are the key properties of 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole?
9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole has a molecular weight of 489.38 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole is sourced from PubChem (CID 176634699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).