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

C44H29N5 — CID 122594038

IUPAC9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N5/c1-4-15-31(16-5-1)47-38-24-12-10-21-34(38)37-29-30(27-28-40(37)47)43-45-46-44(49(43)33-19-8-3-9-20-33)36-23-14-26-41-42(36)35-22-11-13-25-39(35)48(41)32-17-6-2-7-18-32/h1-29H
InChIKeyGKEWQJPCTHVVNK-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.80
Rot. Bonds5

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

9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole (PubChem CID 122594038) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
PubChem CID122594038
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N5/c1-4-15-31(16-5-1)47-38-24-12-10-21-34(38)37-29-30(27-28-40(37)47)43-45-46-44(49(43)33-19-8-3-9-20-33)36-23-14-26-41-42(36)35-22-11-13-25-39(35)48(41)32-17-6-2-7-18-32/h1-29H
InChIKeyGKEWQJPCTHVVNK-UHFFFAOYSA-N
XLogP10.80
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
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
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
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
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
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole (CID 122594038) is 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole is c1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nnc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole?
The InChIKey is GKEWQJPCTHVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-15-31(16-5-1)47-38-24-12-10-21-34(38)37-29-30(27-28-40(37)47)43-45-46-44(49(43)33-19-8-3-9-20-33)36-23-14-26-41-42(36)35-22-11-13-25-39(35)48(41)32-17-6-2-7-18-32/h1-29H.
What are the key properties of 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole?
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole has a molecular weight of 627.75 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole is sourced from PubChem (CID 122594038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).