9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole

C35H32N8 — CID 134693605

IUPAC9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole
SMILESCCCC(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)n1cc(Cn2c3ccccc3c3ccccc32)nn1
InChIInChI=1S/C35H32N8/c1-2-11-27(43-23-26(37-39-43)22-42-34-18-9-5-14-30(34)31-15-6-10-19-35(31)42)24-40-20-25(36-38-40)21-41-32-16-7-3-12-28(32)29-13-4-8-17-33(29)41/h3-10,12-20,23,27H,2,11,21-22,24H2,1H3
InChIKeySKQBZQJPSPTWPU-UHFFFAOYSA-N
MW564.70 g/mol
LogP7.22
Rot. Bonds9

About 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole

9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole (PubChem CID 134693605) has the molecular formula C35H32N8 and a molecular weight of 564.70 g/mol. Its IUPAC name is 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole
PubChem CID134693605
Molecular FormulaC35H32N8
Molecular Weight564.70 g/mol
Exact Mass564.27
IUPAC Name9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole
SMILESCCCC(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)n1cc(Cn2c3ccccc3c3ccccc32)nn1
InChIInChI=1S/C35H32N8/c1-2-11-27(43-23-26(37-39-43)22-42-34-18-9-5-14-30(34)31-15-6-10-19-35(31)42)24-40-20-25(36-38-40)21-41-32-16-7-3-12-28(32)29-13-4-8-17-33(29)41/h3-10,12-20,23,27H,2,11,21-22,24H2,1H3
InChIKeySKQBZQJPSPTWPU-UHFFFAOYSA-N
XLogP7.22
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
US10174024, Example 77
CID 122689894
Mbq-167
CID 129896932
2-Methyl-9-[5-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)pentyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223336
2-Methyl-9-[12-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223340
3-[2-[4-[2-ethyl-4-[5-ethyl-1-(2-methyl-5-propan-2-ylphenyl)triazol-4-yl]phenyl]triazol-1-yl]ethyl]-1H-indole
CID 46902875
3-[1-[7-[1-(2-Phenylphenyl)triazol-4-yl]heptyl]triazol-4-yl]pyridine
CID 137644786
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853

Frequently Asked Questions

What is the IUPAC name of 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole?
The IUPAC name of 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole (CID 134693605) is 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole is CCCC(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)n1cc(Cn2c3ccccc3c3ccccc32)nn1.
What is the InChIKey of 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole?
The InChIKey is SKQBZQJPSPTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N8/c1-2-11-27(43-23-26(37-39-43)22-42-34-18-9-5-14-30(34)31-15-6-10-19-35(31)42)24-40-20-25(36-38-40)21-41-32-16-7-3-12-28(32)29-13-4-8-17-33(29)41/h3-10,12-20,23,27H,2,11,21-22,24H2,1H3.
What are the key properties of 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole?
9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole has a molecular weight of 564.70 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-[1-[4-(carbazol-9-ylmethyl)triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]carbazole is sourced from PubChem (CID 134693605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).