9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole

C44H29N5 — CID 121241285

IUPAC9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H29N5/c1-3-14-30(15-4-1)43-45-44(49(46-43)32-16-5-2-6-17-32)31-26-27-42-38(28-31)37-22-9-12-25-41(37)48(42)34-19-13-18-33(29-34)47-39-23-10-7-20-35(39)36-21-8-11-24-40(36)47/h1-29H
InChIKeyCXARRAOXLKULHC-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.80
Rot. Bonds5

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

9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole (PubChem CID 121241285) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
PubChem CID121241285
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H29N5/c1-3-14-30(15-4-1)43-45-44(49(46-43)32-16-5-2-6-17-32)31-26-27-42-38(28-31)37-22-9-12-25-41(37)48(42)34-19-13-18-33(29-34)47-39-23-10-7-20-35(39)36-21-8-11-24-40(36)47/h1-29H
InChIKeyCXARRAOXLKULHC-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-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-3,6-bis(3-phenylphenyl)carbazole;9-[4-[5-(4-naphthalen-2-ylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 159980819
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933
3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501332
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]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 146226703
3-[2-[2-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501297
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290
7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227252
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole (CID 121241285) is 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole?
The InChIKey is CXARRAOXLKULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-3-14-30(15-4-1)43-45-44(49(46-43)32-16-5-2-6-17-32)31-26-27-42-38(28-31)37-22-9-12-25-41(37)48(42)34-19-13-18-33(29-34)47-39-23-10-7-20-35(39)36-21-8-11-24-40(36)47/h1-29H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole?
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-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-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole is sourced from PubChem (CID 121241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).