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

C36H30N4 — CID 59500034

IUPAC9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H30N4/c1-36(2,3)27-19-17-26(18-20-27)35-37-34(25-11-5-4-6-12-25)38-40(35)29-23-21-28(22-24-29)39-32-15-9-7-13-30(32)31-14-8-10-16-33(31)39/h4-24H,1-3H3
InChIKeyBXUMYORXVYHCMG-UHFFFAOYSA-N
MW518.66 g/mol
LogP9.00
Rot. Bonds4

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

9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole (PubChem CID 59500034) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
PubChem CID59500034
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H30N4/c1-36(2,3)27-19-17-26(18-20-27)35-37-34(25-11-5-4-6-12-25)38-40(35)29-23-21-28(22-24-29)39-32-15-9-7-13-30(32)31-14-8-10-16-33(31)39/h4-24H,1-3H3
InChIKeyBXUMYORXVYHCMG-UHFFFAOYSA-N
XLogP9.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
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-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
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-[2-[2-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501297
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole
CID 134597649

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole (CID 59500034) is 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole is CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nn2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole?
The InChIKey is BXUMYORXVYHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-36(2,3)27-19-17-26(18-20-27)35-37-34(25-11-5-4-6-12-25)38-40(35)29-23-21-28(22-24-29)39-32-15-9-7-13-30(32)31-14-8-10-16-33(31)39/h4-24H,1-3H3.
What are the key properties of 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole?
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole has a molecular weight of 518.66 g/mol, XLogP of 9.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole is sourced from PubChem (CID 59500034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).