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

C55H36N6 — CID 58500961

IUPAC9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1
InChIInChI=1S/C55H36N6/c1-4-18-37(19-5-1)39-32-40(38-20-6-2-7-21-38)34-41(33-39)54-57-58-55(60(54)42-22-8-3-9-23-42)48-35-43(59-49-28-14-10-24-44(49)45-25-11-15-29-50(45)59)36-53(56-48)61-51-30-16-12-26-46(51)47-27-13-17-31-52(47)61/h1-36H
InChIKeyNOGNANRFPSWYCA-UHFFFAOYSA-N
MW780.94 g/mol
LogP13.52
Rot. Bonds7

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

9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole (PubChem CID 58500961) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
PubChem CID58500961
Molecular FormulaC55H36N6
Molecular Weight780.94 g/mol
Exact Mass780.30
IUPAC Name9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1
InChIInChI=1S/C55H36N6/c1-4-18-37(19-5-1)39-32-40(38-20-6-2-7-21-38)34-41(33-39)54-57-58-55(60(54)42-22-8-3-9-23-42)48-35-43(59-49-28-14-10-24-44(49)45-25-11-15-29-50(45)59)36-53(56-48)61-51-30-16-12-26-46(51)47-27-13-17-31-52(47)61/h1-36H
InChIKeyNOGNANRFPSWYCA-UHFFFAOYSA-N
XLogP13.52
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-(3,5-diphenylphenyl)-2-pyridinyl]carbazole
CID 165034391
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline
CID 58500962
9-(4,6-diphenyl-2-pyridinyl)-3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole
CID 122594049
5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 157399979
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500953
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole (CID 58500961) is 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nnc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole?
The InChIKey is NOGNANRFPSWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c1-4-18-37(19-5-1)39-32-40(38-20-6-2-7-21-38)34-41(33-39)54-57-58-55(60(54)42-22-8-3-9-23-42)48-35-43(59-49-28-14-10-24-44(49)45-25-11-15-29-50(45)59)36-53(56-48)61-51-30-16-12-26-46(51)47-27-13-17-31-52(47)61/h1-36H.
What are the key properties of 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole?
9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole has a molecular weight of 780.94 g/mol, XLogP of 13.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole is sourced from PubChem (CID 58500961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).