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

C66H43N7 — CID 122594049

IUPAC9-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)n5-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C66H43N7/c1-6-21-44(22-7-1)49-40-56(46-25-10-3-11-26-46)67-62(42-49)72-58-34-18-16-31-52(58)55-39-48(37-38-60(55)72)65-69-70-66(71(65)51-29-14-5-15-30-51)54-33-20-36-61-64(54)53-32-17-19-35-59(53)73(61)63-43-50(45-23-8-2-9-24-45)41-57(68-63)47-27-12-4-13-28-47/h1-43H
InChIKeyXLHRGNPTYWKYOE-UHFFFAOYSA-N
MW934.12 g/mol
LogP16.25
Rot. Bonds9

About 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

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 (PubChem CID 122594049) has the molecular formula C66H43N7 and a molecular weight of 934.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID122594049
Molecular FormulaC66H43N7
Molecular Weight934.12 g/mol
Exact Mass933.36
IUPAC Name9-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)n5-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C66H43N7/c1-6-21-44(22-7-1)49-40-56(46-25-10-3-11-26-46)67-62(42-49)72-58-34-18-16-31-52(58)55-39-48(37-38-60(55)72)65-69-70-66(71(65)51-29-14-5-15-30-51)54-33-20-36-61-64(54)53-32-17-19-35-59(53)73(61)63-43-50(45-23-8-2-9-24-45)41-57(68-63)47-27-12-4-13-28-47/h1-43H
InChIKeyXLHRGNPTYWKYOE-UHFFFAOYSA-N
XLogP16.25
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.12
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038
N-[3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-4-phenyl-1,2,4-triazol-3-yl]-2-phenylphenyl]-4,6-diphenylpyridin-2-amine
CID 126609070
9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
CID 122594044
3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole
CID 122594166
1-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylcarbazole
CID 157097592
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800
1-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160502757
3-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole;4-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
CID 161182261
15-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenylpyrimidin-2-yl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 157104357
15-(3,5-diphenylphenyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenyl-2-pyridinyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 159032917
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)n5-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is XLHRGNPTYWKYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N7/c1-6-21-44(22-7-1)49-40-56(46-25-10-3-11-26-46)67-62(42-49)72-58-34-18-16-31-52(58)55-39-48(37-38-60(55)72)65-69-70-66(71(65)51-29-14-5-15-30-51)54-33-20-36-61-64(54)53-32-17-19-35-59(53)73(61)63-43-50(45-23-8-2-9-24-45)41-57(68-63)47-27-12-4-13-28-47/h1-43H.
What are the key properties of 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?
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 has a molecular weight of 934.12 g/mol, XLogP of 16.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122594049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).