3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole

C51H36N4 — CID 59501332

IUPAC3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H36N4/c1-35-24-26-38(27-25-35)51-52-50(37-14-4-2-5-15-37)53-55(51)41-31-28-36(29-32-41)42-18-8-10-20-44(42)45-21-11-9-19-43(45)39-30-33-49-47(34-39)46-22-12-13-23-48(46)54(49)40-16-6-3-7-17-40/h2-34H,1H3
InChIKeyFREGZRCWRQDERB-UHFFFAOYSA-N
MW704.88 g/mol
LogP13.01
Rot. Bonds7

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

3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 59501332) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID59501332
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H36N4/c1-35-24-26-38(27-25-35)51-52-50(37-14-4-2-5-15-37)53-55(51)41-31-28-36(29-32-41)42-18-8-10-20-44(42)45-21-11-9-19-43(45)39-30-33-49-47(34-39)46-22-12-13-23-48(46)54(49)40-16-6-3-7-17-40/h2-34H,1H3
InChIKeyFREGZRCWRQDERB-UHFFFAOYSA-N
XLogP13.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501297
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
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
9-[4-[2-[2-[4-(3,5-dinaphthalen-2-yl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501300
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
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 59501332) is 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is Cc1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is FREGZRCWRQDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-35-24-26-38(27-25-35)51-52-50(37-14-4-2-5-15-37)53-55(51)41-31-28-36(29-32-41)42-18-8-10-20-44(42)45-21-11-9-19-43(45)39-30-33-49-47(34-39)46-22-12-13-23-48(46)54(49)40-16-6-3-7-17-40/h2-34H,1H3.
What are the key properties of 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 704.88 g/mol, XLogP of 13.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59501332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).