3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole

C30H23N7O2 — CID 138740936

IUPAC3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
SMILESCOc1ccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7ccc(OC)cc7)nn6)cc5c4c3)nn2)cc1
InChIInChI=1S/C30H23N7O2/c1-38-23-9-5-21(6-10-23)36-17-29(32-34-36)19-3-13-27-25(15-19)26-16-20(4-14-28(26)31-27)30-18-37(35-33-30)22-7-11-24(39-2)12-8-22/h3-18,31H,1-2H3
InChIKeyZAANQNMRQAAPGA-UHFFFAOYSA-N
MW513.56 g/mol
LogP5.83
Rot. Bonds6

About 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole

3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole (PubChem CID 138740936) has the molecular formula C30H23N7O2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole.

Molecular Properties

Compound Name3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
PubChem CID138740936
Molecular FormulaC30H23N7O2
Molecular Weight513.56 g/mol
Exact Mass513.19
IUPAC Name3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
SMILESCOc1ccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7ccc(OC)cc7)nn6)cc5c4c3)nn2)cc1
InChIInChI=1S/C30H23N7O2/c1-38-23-9-5-21(6-10-23)36-17-29(32-34-36)19-3-13-27-25(15-19)26-16-20(4-14-28(26)31-27)30-18-37(35-33-30)22-7-11-24(39-2)12-8-22/h3-18,31H,1-2H3
InChIKeyZAANQNMRQAAPGA-UHFFFAOYSA-N
XLogP5.83
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.56
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
4-[4-(4-methoxyphenyl)triazol-1-yl]pyridine-2,6-dicarboxylic acid
CID 89482650
4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11667722
5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
CID 11659636
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
CID 136776816
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
CID 156834081
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
2-[[4-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]phenyl]sulfinylmethyl]-4,5-diphenyl-1,3-oxazole
CID 155519743
3-[4-[6-[1-(3-carboxy-2-hydroxyphenyl)triazol-4-yl]-9H-carbazol-3-yl]triazol-1-yl]-2-hydroxybenzoic acid
CID 175703205
9-[4-[6-[4-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 171729860

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole?
The IUPAC name of 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole (CID 138740936) is 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole.
What is the SMILES notation for 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole?
The canonical SMILES for 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole is COc1ccc(-n2cc(-c3ccc4[nH]c5ccc(-c6cn(-c7ccc(OC)cc7)nn6)cc5c4c3)nn2)cc1.
What is the InChIKey of 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole?
The InChIKey is ZAANQNMRQAAPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O2/c1-38-23-9-5-21(6-10-23)36-17-29(32-34-36)19-3-13-27-25(15-19)26-16-20(4-14-28(26)31-27)30-18-37(35-33-30)22-7-11-24(39-2)12-8-22/h3-18,31H,1-2H3.
What are the key properties of 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole?
3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole has a molecular weight of 513.56 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole is sourced from PubChem (CID 138740936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).