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

C33H34F2N8 — CID 134693606

IUPAC6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESCC(Cn1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1)n1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1
InChIInChI=1S/C33H34F2N8/c1-21(43-20-25(37-39-43)19-42-31-9-5-3-7-27(31)29-15-23(35)11-13-33(29)42)16-40-17-24(36-38-40)18-41-30-8-4-2-6-26(30)28-14-22(34)10-12-32(28)41/h10-15,17,20-21H,2-9,16,18-19H2,1H3
InChIKeyPIUHLTCHKWONEB-UHFFFAOYSA-N
MW580.69 g/mol
LogP6.17
Rot. Bonds7

About 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]propan-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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 134693606) has the molecular formula C33H34F2N8 and a molecular weight of 580.69 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]propan-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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID134693606
Molecular FormulaC33H34F2N8
Molecular Weight580.69 g/mol
Exact Mass580.29
IUPAC Name6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESCC(Cn1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1)n1cc(Cn2c3c(c4cc(F)ccc42)CCCC3)nn1
InChIInChI=1S/C33H34F2N8/c1-21(43-20-25(37-39-43)19-42-31-9-5-3-7-27(31)29-15-23(35)11-13-33(29)42)16-40-17-24(36-38-40)18-41-30-8-4-2-6-26(30)28-14-22(34)10-12-32(28)41/h10-15,17,20-21H,2-9,16,18-19H2,1H3
InChIKeyPIUHLTCHKWONEB-UHFFFAOYSA-N
XLogP6.17
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole with MolForge

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Related Compounds

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-[12-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223340
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853
1-Methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539326
1-Propan-2-yl-9-[10-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539686
6-(3,5-Dimethyltriazol-4-yl)-1-[(1,4,4-trifluorocyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426828
l-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059804
US10112941, Example 377
CID 121422544

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]propan-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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (CID 134693606) is 6-fluoro-9-[[1-[1-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]propan-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]propan-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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is CC(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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is PIUHLTCHKWONEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N8/c1-21(43-20-25(37-39-43)19-42-31-9-5-3-7-27(31)29-15-23(35)11-13-33(29)42)16-40-17-24(36-38-40)18-41-30-8-4-2-6-26(30)28-14-22(34)10-12-32(28)41/h10-15,17,20-21H,2-9,16,18-19H2,1H3.
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]propan-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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 580.69 g/mol, XLogP of 6.17, 7 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]propan-2-yl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 134693606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).