6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole

C35H38F2N8 — CID 134693614

IUPAC6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESCCCC(Cn1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1)n1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1
InChIInChI=1S/C35H38F2N8/c1-2-7-27(45-21-26(39-41-45)20-44-33-11-6-4-9-29(33)31-17-24(37)13-15-35(31)44)22-42-18-25(38-40-42)19-43-32-10-5-3-8-28(32)30-16-23(36)12-14-34(30)43/h12-18,21,27H,2-11,19-20,22H2,1H3
InChIKeyUIIGAJSVASLFHI-UHFFFAOYSA-N
MW608.74 g/mol
LogP6.95
Rot. Bonds9

About 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole

6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 134693614) has the molecular formula C35H38F2N8 and a molecular weight of 608.74 g/mol. Its IUPAC name is 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID134693614
Molecular FormulaC35H38F2N8
Molecular Weight608.74 g/mol
Exact Mass608.32
IUPAC Name6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESCCCC(Cn1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1)n1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1
InChIInChI=1S/C35H38F2N8/c1-2-7-27(45-21-26(39-41-45)20-44-33-11-6-4-9-29(33)31-17-24(37)13-15-35(31)44)22-42-18-25(38-40-42)19-43-32-10-5-3-8-28(32)30-16-23(36)12-14-34(30)43/h12-18,21,27H,2-11,19-20,22H2,1H3
InChIKeyUIIGAJSVASLFHI-UHFFFAOYSA-N
XLogP6.95
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (CID 134693614) is 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is CCCC(Cn1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1)n1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1.
What is the InChIKey of 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is UIIGAJSVASLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F2N8/c1-2-7-27(45-21-26(39-41-45)20-44-33-11-6-4-9-29(33)31-17-24(37)13-15-35(31)44)22-42-18-25(38-40-42)19-43-32-10-5-3-8-28(32)30-16-23(36)12-14-34(30)43/h12-18,21,27H,2-11,19-20,22H2,1H3.
What are the key properties of 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 608.74 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]pentan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 134693614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).