9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole

C53H33N5 — CID 122400298

IUPAC9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H33N5/c1-9-25-42-34(17-1)35-18-2-10-26-43(35)55(42)50-33-51(56-44-27-11-3-19-36(44)37-20-4-12-28-45(37)56)53(58-48-31-15-7-23-40(48)41-24-8-16-32-49(41)58)54-52(50)57-46-29-13-5-21-38(46)39-22-6-14-30-47(39)57/h1-33H
InChIKeyCPWATJJQSLLWNJ-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.47
Rot. Bonds4

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

9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole (PubChem CID 122400298) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
PubChem CID122400298
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H33N5/c1-9-25-42-34(17-1)35-18-2-10-26-43(35)55(42)50-33-51(56-44-27-11-3-19-36(44)37-20-4-12-28-45(37)56)53(58-48-31-15-7-23-40(48)41-24-8-16-32-49(41)58)54-52(50)57-46-29-13-5-21-38(46)39-22-6-14-30-47(39)57/h1-33H
InChIKeyCPWATJJQSLLWNJ-UHFFFAOYSA-N
XLogP13.47
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
9-(5-carbazol-9-yl-3,6-dimethyl-2-pyridinyl)carbazole
CID 170652172
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
9-(9-carbazol-9-ylpyren-4-yl)carbazole
CID 174313049
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole
CID 145186154
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
9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
CID 170221633
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
CID 118429570

Frequently Asked Questions

What is the IUPAC name of 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole?
The IUPAC name of 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole (CID 122400298) is 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole.
What is the SMILES notation for 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole?
The canonical SMILES for 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)nc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole?
The InChIKey is CPWATJJQSLLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-9-25-42-34(17-1)35-18-2-10-26-43(35)55(42)50-33-51(56-44-27-11-3-19-36(44)37-20-4-12-28-45(37)56)53(58-48-31-15-7-23-40(48)41-24-8-16-32-49(41)58)54-52(50)57-46-29-13-5-21-38(46)39-22-6-14-30-47(39)57/h1-33H.
What are the key properties of 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole?
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole is sourced from PubChem (CID 122400298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).