9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole

C44H27N7 — CID 165047384

IUPAC9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H27N7/c1-7-21-35-28(14-1)29-15-2-8-22-36(29)49(35)41-27-13-20-34(45-41)42-46-43(50-37-23-9-3-16-30(37)31-17-4-10-24-38(31)50)48-44(47-42)51-39-25-11-5-18-32(39)33-19-6-12-26-40(33)51/h1-27H
InChIKeyYTXONKLBUITNPG-UHFFFAOYSA-N
MW653.75 g/mol
LogP10.22
Rot. Bonds4

About 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 165047384) has the molecular formula C44H27N7 and a molecular weight of 653.75 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID165047384
Molecular FormulaC44H27N7
Molecular Weight653.75 g/mol
Exact Mass653.23
IUPAC Name9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H27N7/c1-7-21-35-28(14-1)29-15-2-8-22-36(29)49(35)41-27-13-20-34(45-41)42-46-43(50-37-23-9-3-16-30(37)31-17-4-10-24-38(31)50)48-44(47-42)51-39-25-11-5-18-32(39)33-19-6-12-26-40(33)51/h1-27H
InChIKeyYTXONKLBUITNPG-UHFFFAOYSA-N
XLogP10.22
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504570
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
5-[4-phenyl-6-[11-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 88917460
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole (CID 165047384) is 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole is c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is YTXONKLBUITNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N7/c1-7-21-35-28(14-1)29-15-2-8-22-36(29)49(35)41-27-13-20-34(45-41)42-46-43(50-37-23-9-3-16-30(37)31-17-4-10-24-38(31)50)48-44(47-42)51-39-25-11-5-18-32(39)33-19-6-12-26-40(33)51/h1-27H.
What are the key properties of 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 653.75 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 165047384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).