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

C44H29N5 — CID 102103336

IUPAC9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4ccccc43)nnc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H29N5/c1-2-16-30(17-3-1)47-43(35-22-8-14-28-41(35)48-37-24-10-4-18-31(37)32-19-5-11-25-38(32)48)45-46-44(47)36-23-9-15-29-42(36)49-39-26-12-6-20-33(39)34-21-7-13-27-40(34)49/h1-29H
InChIKeyJSIUIYIYXTUBNY-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.80
Rot. Bonds5

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

9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (PubChem CID 102103336) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
PubChem CID102103336
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4ccccc43)nnc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H29N5/c1-2-16-30(17-3-1)47-43(35-22-8-14-28-41(35)48-37-24-10-4-18-31(37)32-19-5-11-25-38(32)48)45-46-44(47)36-23-9-15-29-42(36)49-39-26-12-6-20-33(39)34-21-7-13-27-40(34)49/h1-29H
InChIKeyJSIUIYIYXTUBNY-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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Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (CID 102103336) is 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is c1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4ccccc43)nnc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The InChIKey is JSIUIYIYXTUBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-2-16-30(17-3-1)47-43(35-22-8-14-28-41(35)48-37-24-10-4-18-31(37)32-19-5-11-25-38(32)48)45-46-44(47)36-23-9-15-29-42(36)49-39-26-12-6-20-33(39)34-21-7-13-27-40(34)49/h1-29H.
What are the key properties of 9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
9-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]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-[2-[5-(2-carbazol-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 102103336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).