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

C56H37N5 — CID 122594044

IUPAC9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C56H37N5/c1-4-17-38(18-5-1)40-21-14-25-44(35-40)59-50-30-12-10-27-46(50)49-37-42(33-34-52(49)59)55-57-58-56(61(55)43-23-8-3-9-24-43)48-29-16-32-53-54(48)47-28-11-13-31-51(47)60(53)45-26-15-22-41(36-45)39-19-6-2-7-20-39/h1-37H
InChIKeyZUGSUKHCAUKYBG-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.13
Rot. Bonds7

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

9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole (PubChem CID 122594044) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
PubChem CID122594044
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C56H37N5/c1-4-17-38(18-5-1)40-21-14-25-44(35-40)59-50-30-12-10-27-46(50)49-37-42(33-34-52(49)59)55-57-58-56(61(55)43-23-8-3-9-24-43)48-29-16-32-53-54(48)47-28-11-13-31-51(47)60(53)45-26-15-22-41(36-45)39-19-6-2-7-20-39/h1-37H
InChIKeyZUGSUKHCAUKYBG-UHFFFAOYSA-N
XLogP14.13
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
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
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
5-[3-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 158557547
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
14-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226869
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole (CID 122594044) is 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nnc(-c6cccc7c6c6ccccc6n7-c6cccc(-c7ccccc7)c6)n5-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole?
The InChIKey is ZUGSUKHCAUKYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-4-17-38(18-5-1)40-21-14-25-44(35-40)59-50-30-12-10-27-46(50)49-37-42(33-34-52(49)59)55-57-58-56(61(55)43-23-8-3-9-24-43)48-29-16-32-53-54(48)47-28-11-13-31-51(47)60(53)45-26-15-22-41(36-45)39-19-6-2-7-20-39/h1-37H.
What are the key properties of 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole?
9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole has a molecular weight of 779.95 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole is sourced from PubChem (CID 122594044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).