5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole

C72H46F6N8 — CID 143156805

IUPAC5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1
InChIInChI=1S/C37H22F6N4.C35H24N4/c38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47;1-3-9-30-28(7-1)34-32(11-5-21-36-34)38(30)26-17-13-24(14-18-26)23-25-15-19-27(20-16-25)39-31-10-4-2-8-29(31)35-33(39)12-6-22-37-35/h1-22H;1-22H,23H2
InChIKeyGQFFMYFPHLGJPJ-UHFFFAOYSA-N
MW1137.20 g/mol
LogP18.34
Rot. Bonds8

About 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole

5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole (PubChem CID 143156805) has the molecular formula C72H46F6N8 and a molecular weight of 1137.20 g/mol. Its IUPAC name is 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole
PubChem CID143156805
Molecular FormulaC72H46F6N8
Molecular Weight1137.20 g/mol
Exact Mass1136.37
IUPAC Name5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1
InChIInChI=1S/C37H22F6N4.C35H24N4/c38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47;1-3-9-30-28(7-1)34-32(11-5-21-36-34)38(30)26-17-13-24(14-18-26)23-25-15-19-27(20-16-25)39-31-10-4-2-8-29(31)35-33(39)12-6-22-37-35/h1-22H;1-22H,23H2
InChIKeyGQFFMYFPHLGJPJ-UHFFFAOYSA-N
XLogP18.34
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.20
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

US10174024, Example 77
CID 122689894
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
US10174024, Example 75
CID 122689899
9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134130842
N,N'-bis[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine;hydrochloride
CID 134131024
9-[[1-[[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155551077
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-[(4-Fluorophenyl)methyl]-3-[[4-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029328
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
US10174024, Example 73
CID 138374972

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole (CID 143156805) is 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole is FC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1.
What is the InChIKey of 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole?
The InChIKey is GQFFMYFPHLGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6N4.C35H24N4/c38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47;1-3-9-30-28(7-1)34-32(11-5-21-36-34)38(30)26-17-13-24(14-18-26)23-25-15-19-27(20-16-25)39-31-10-4-2-8-29(31)35-33(39)12-6-22-37-35/h1-22H;1-22H,23H2.
What are the key properties of 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole?
5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 1137.20 g/mol, XLogP of 18.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 143156805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).