8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C43H24F2N8 — CID 144612658

IUPAC8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1ccc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc1F
InChIInChI=1S/C43H24F2N8/c44-35-19-26(52-40-11-16-48-23-33(40)34-24-49-17-12-41(34)52)3-6-28(35)29-7-4-27(20-36(29)45)53-37-8-5-25(18-30(37)43-42(53)2-1-13-50-43)51-38-9-14-46-21-31(38)32-22-47-15-10-39(32)51/h1-24H
InChIKeyOVZOCZXZXPKYOM-UHFFFAOYSA-N
MW690.72 g/mol
LogP9.90
Rot. Bonds4

About 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 144612658) has the molecular formula C43H24F2N8 and a molecular weight of 690.72 g/mol. Its IUPAC name is 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID144612658
Molecular FormulaC43H24F2N8
Molecular Weight690.72 g/mol
Exact Mass690.21
IUPAC Name8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1ccc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc1F
InChIInChI=1S/C43H24F2N8/c44-35-19-26(52-40-11-16-48-23-33(40)34-24-49-17-12-41(34)52)3-6-28(35)29-7-4-27(20-36(29)45)53-37-8-5-25(18-30(37)43-42(53)2-1-13-50-43)51-38-9-14-46-21-31(38)32-22-47-15-10-39(32)51/h1-24H
InChIKeyOVZOCZXZXPKYOM-UHFFFAOYSA-N
XLogP9.90
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.72
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
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CID 11014525
8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 54586687
3-(4-Fluorophenyl)-1-(2-piperidin-1-ylethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 10862277
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
9-[(4-Fluorophenyl)methyl]-1-pyridin-2-ylpyrido[3,4-b]indole
CID 141472185
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]butane-1,4-diamine;hydrochloride
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N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine;hydrochloride
CID 134131024
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]hexane-1,6-diamine;hydrochloride
CID 134131433
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]pentane-1,5-diamine;hydrochloride
CID 134143282
9-(4-Pyrido[3,4-b]indol-9-ylbutyl)pyrido[3,4-b]indole
CID 71539191
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Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 144612658) is 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Fc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1ccc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc1F.
What is the InChIKey of 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is OVZOCZXZXPKYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24F2N8/c44-35-19-26(52-40-11-16-48-23-33(40)34-24-49-17-12-41(34)52)3-6-28(35)29-7-4-27(20-36(29)45)53-37-8-5-25(18-30(37)43-42(53)2-1-13-50-43)51-38-9-14-46-21-31(38)32-22-47-15-10-39(32)51/h1-24H.
What are the key properties of 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 690.72 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3-fluoro-4-[2-fluoro-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 144612658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).