1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole

C27H17N5 — CID 118037607

IUPAC1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cnnnc3-c3cccc4c3[nH]c3ccccc34)cccc12
InChIInChI=1S/C27H17N5/c1-3-13-23-16(7-1)18-9-5-11-20(25(18)29-23)22-15-28-32-31-27(22)21-12-6-10-19-17-8-2-4-14-24(17)30-26(19)21/h1-15,29-30H
InChIKeyPIBOODMEBMNMGK-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.47
Rot. Bonds2

About 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole

1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole (PubChem CID 118037607) has the molecular formula C27H17N5 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
PubChem CID118037607
Molecular FormulaC27H17N5
Molecular Weight411.47 g/mol
Exact Mass411.15
IUPAC Name1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cnnnc3-c3cccc4c3[nH]c3ccccc34)cccc12
InChIInChI=1S/C27H17N5/c1-3-13-23-16(7-1)18-9-5-11-20(25(18)29-23)22-15-28-32-31-27(22)21-12-6-10-19-17-8-2-4-14-24(17)30-26(19)21/h1-15,29-30H
InChIKeyPIBOODMEBMNMGK-UHFFFAOYSA-N
XLogP6.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
[4-(9H-carbazol-1-yl)phenyl]-triphenylsilane
CID 141080008
1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
CID 175594588
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole
CID 166133692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole?
The IUPAC name of 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole (CID 118037607) is 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole.
What is the SMILES notation for 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole?
The canonical SMILES for 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole is c1ccc2c(c1)[nH]c1c(-c3cnnnc3-c3cccc4c3[nH]c3ccccc34)cccc12.
What is the InChIKey of 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole?
The InChIKey is PIBOODMEBMNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5/c1-3-13-23-16(7-1)18-9-5-11-20(25(18)29-23)22-15-28-32-31-27(22)21-12-6-10-19-17-8-2-4-14-24(17)30-26(19)21/h1-15,29-30H.
What are the key properties of 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole?
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole has a molecular weight of 411.47 g/mol, XLogP of 6.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole is sourced from PubChem (CID 118037607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).