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

C32H26N8 — CID 134693593

IUPAC9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(CCn2cc(Cn3c4ccccc4c4ccccc43)nn2)nn1
InChIInChI=1S/C32H26N8/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)39(29)21-23-19-37(35-33-23)17-18-38-20-24(34-36-38)22-40-31-15-7-3-11-27(31)28-12-4-8-16-32(28)40/h1-16,19-20H,17-18,21-22H2
InChIKeyULFPJODGYFVMIO-UHFFFAOYSA-N
MW522.62 g/mol
LogP5.88
Rot. Bonds7

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

9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole (PubChem CID 134693593) has the molecular formula C32H26N8 and a molecular weight of 522.62 g/mol. Its IUPAC name is 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole
PubChem CID134693593
Molecular FormulaC32H26N8
Molecular Weight522.62 g/mol
Exact Mass522.23
IUPAC Name9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(CCn2cc(Cn3c4ccccc4c4ccccc43)nn2)nn1
InChIInChI=1S/C32H26N8/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)39(29)21-23-19-37(35-33-23)17-18-38-20-24(34-36-38)22-40-31-15-7-3-11-27(31)28-12-4-8-16-32(28)40/h1-16,19-20H,17-18,21-22H2
InChIKeyULFPJODGYFVMIO-UHFFFAOYSA-N
XLogP5.88
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 55.88
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
Mbq-167
CID 129896932
1-Carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one
CID 45483915
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
2-[(1-Phenyltriazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 56896484
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-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole?
The IUPAC name of 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole (CID 134693593) is 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole is c1ccc2c(c1)c1ccccc1n2Cc1cn(CCn2cc(Cn3c4ccccc4c4ccccc43)nn2)nn1.
What is the InChIKey of 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole?
The InChIKey is ULFPJODGYFVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N8/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)39(29)21-23-19-37(35-33-23)17-18-38-20-24(34-36-38)22-40-31-15-7-3-11-27(31)28-12-4-8-16-32(28)40/h1-16,19-20H,17-18,21-22H2.
What are the key properties of 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole?
9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole has a molecular weight of 522.62 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-[2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethyl]triazol-4-yl]methyl]carbazole is sourced from PubChem (CID 134693593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).