9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole

C29H21N7 — CID 163431257

IUPAC9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nnc3-c3ccccn3)cn2)CC1
InChIInChI=1S/C29H21N7/c1-3-13-25-21(9-1)22-10-2-4-14-26(22)36(25)27-16-15-20(19-32-27)35-28(23-11-5-7-17-30-23)33-34-29(35)24-12-6-8-18-31-24/h1,3-9,11-19H,2,10H2
InChIKeyAQRMMAYKKTVJIW-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.69
Rot. Bonds4

About 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole

9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole (PubChem CID 163431257) has the molecular formula C29H21N7 and a molecular weight of 467.54 g/mol. Its IUPAC name is 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole
PubChem CID163431257
Molecular FormulaC29H21N7
Molecular Weight467.54 g/mol
Exact Mass467.19
IUPAC Name9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nnc3-c3ccccn3)cn2)CC1
InChIInChI=1S/C29H21N7/c1-3-13-25-21(9-1)22-10-2-4-14-26(22)36(25)27-16-15-20(19-32-27)35-28(23-11-5-7-17-30-23)33-34-29(35)24-12-6-8-18-31-24/h1,3-9,11-19H,2,10H2
InChIKeyAQRMMAYKKTVJIW-UHFFFAOYSA-N
XLogP5.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[6-(5-pyridin-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)-3-pyridinyl]carbazole
CID 59845031
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
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5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 70894526
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole;9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dimethylcarbazole;9-[5-(5-pyridin-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbazole;9-[6-(5-pyridin-2-yl-4-pyridin-3-yl-1,2,4-triazol-3-yl)-3-pyridinyl]carbazole;9-[6-(5-pyridin-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)-3-pyridinyl]carbazole
CID 162225674
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole;9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dimethylcarbazole;9-[5-(5-pyridin-2-yl-4-pyridin-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbazole;9-[5-(5-pyridin-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbazole;9-[6-(5-pyridin-2-yl-4-pyridin-3-yl-1,2,4-triazol-3-yl)-3-pyridinyl]carbazole;9-[6-(5-pyridin-2-yl-4-pyridin-4-yl-1,2,4-triazol-3-yl)-3-pyridinyl]carbazole
CID 158587755

Frequently Asked Questions

What is the IUPAC name of 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole (CID 163431257) is 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nnc3-c3ccccn3)cn2)CC1.
What is the InChIKey of 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole?
The InChIKey is AQRMMAYKKTVJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N7/c1-3-13-25-21(9-1)22-10-2-4-14-26(22)36(25)27-16-15-20(19-32-27)35-28(23-11-5-7-17-30-23)33-34-29(35)24-12-6-8-18-31-24/h1,3-9,11-19H,2,10H2.
What are the key properties of 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole?
9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole has a molecular weight of 467.54 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 163431257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).