7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]

C33H18BrN5 — CID 122587905

IUPAC7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc31)c1cccnc1-2
InChIInChI=1S/C33H18BrN5/c34-19-11-12-22-27(14-19)33(26-9-5-13-36-31(22)26)25-8-3-1-6-20(25)23-15-24-21-7-2-4-10-29(21)39(30(24)16-28(23)33)32-37-17-35-18-38-32/h1-18H
InChIKeyCAPVEMMGWQKIKP-UHFFFAOYSA-N
MW564.45 g/mol
LogP7.47
Rot. Bonds1

About 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]

7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole] (PubChem CID 122587905) has the molecular formula C33H18BrN5 and a molecular weight of 564.45 g/mol. Its IUPAC name is 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]
PubChem CID122587905
Molecular FormulaC33H18BrN5
Molecular Weight564.45 g/mol
Exact Mass563.07
IUPAC Name7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc31)c1cccnc1-2
InChIInChI=1S/C33H18BrN5/c34-19-11-12-22-27(14-19)33(26-9-5-13-36-31(22)26)25-8-3-1-6-20(25)23-15-24-21-7-2-4-10-29(21)39(30(24)16-28(23)33)32-37-17-35-18-38-32/h1-18H
InChIKeyCAPVEMMGWQKIKP-UHFFFAOYSA-N
XLogP7.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.45
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole] (CID 122587905) is 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole] is Brc1ccc2c(c1)C1(c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc31)c1cccnc1-2.
What is the InChIKey of 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]?
The InChIKey is CAPVEMMGWQKIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18BrN5/c34-19-11-12-22-27(14-19)33(26-9-5-13-36-31(22)26)25-8-3-1-6-20(25)23-15-24-21-7-2-4-10-29(21)39(30(24)16-28(23)33)32-37-17-35-18-38-32/h1-18H.
What are the key properties of 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]?
7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole] has a molecular weight of 564.45 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 122587905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).