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

C32H32F2N8 — CID 134693602

IUPAC6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESFc1ccc2c(c1)c1c(n2Cc2cn(CCn3cc(Cn4c5c(c6cc(F)ccc64)CCCC5)nn3)nn2)CCCC1
InChIInChI=1S/C32H32F2N8/c33-21-9-11-31-27(15-21)25-5-1-3-7-29(25)41(31)19-23-17-39(37-35-23)13-14-40-18-24(36-38-40)20-42-30-8-4-2-6-26(30)28-16-22(34)10-12-32(28)42/h9-12,15-18H,1-8,13-14,19-20H2
InChIKeyDFMUSTHWLZDOCA-UHFFFAOYSA-N
MW566.66 g/mol
LogP5.61
Rot. Bonds7

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

6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 134693602) has the molecular formula C32H32F2N8 and a molecular weight of 566.66 g/mol. Its IUPAC name is 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID134693602
Molecular FormulaC32H32F2N8
Molecular Weight566.66 g/mol
Exact Mass566.27
IUPAC Name6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole
SMILESFc1ccc2c(c1)c1c(n2Cc2cn(CCn3cc(Cn4c5c(c6cc(F)ccc64)CCCC5)nn3)nn2)CCCC1
InChIInChI=1S/C32H32F2N8/c33-21-9-11-31-27(15-21)25-5-1-3-7-29(25)41(31)19-23-17-39(37-35-23)13-14-40-18-24(36-38-40)20-42-30-8-4-2-6-26(30)28-16-22(34)10-12-32(28)42/h9-12,15-18H,1-8,13-14,19-20H2
InChIKeyDFMUSTHWLZDOCA-UHFFFAOYSA-N
XLogP5.61
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 55.61
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-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole with MolForge

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Related Compounds

9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
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9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
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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
2-[[1-(3-Fluorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756421
US10174024, Example 77
CID 122689894
Mbq-167
CID 129896932
8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54586687
2-[[1-(2-Fluorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155513334
2-[[1-[2-(Trifluoromethyl)phenyl]triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155517206
2-[[1-(4-Fluorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155537117
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole (CID 134693602) is 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is Fc1ccc2c(c1)c1c(n2Cc2cn(CCn3cc(Cn4c5c(c6cc(F)ccc64)CCCC5)nn3)nn2)CCCC1.
What is the InChIKey of 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is DFMUSTHWLZDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N8/c33-21-9-11-31-27(15-21)25-5-1-3-7-29(25)41(31)19-23-17-39(37-35-23)13-14-40-18-24(36-38-40)20-42-30-8-4-2-6-26(30)28-16-22(34)10-12-32(28)42/h9-12,15-18H,1-8,13-14,19-20H2.
What are the key properties of 6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole?
6-fluoro-9-[[1-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 566.66 g/mol, XLogP of 5.61, 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-[2-[4-[(6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 134693602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).