5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole

C72H44F6N8 — CID 144549362

IUPAC5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccncc4n5-c4ccc(Cc5ccc(-n6c7ccccc7c7ccncc76)cc5)cc4)nccc32)cc1)C(F)(F)F
InChIInChI=1S/C72H44F6N8/c73-71(74,75)70(72(76,77)78,46-20-28-50(29-21-46)83-60-13-5-2-9-53(60)58-41-79-38-34-62(58)83)47-22-30-51(31-23-47)84-61-14-6-3-10-55(61)68-64(84)35-39-82-69(68)57-11-7-15-63-67(57)56-33-37-81-43-66(56)86(63)49-26-18-45(19-27-49)40-44-16-24-48(25-17-44)85-59-12-4-1-8-52(59)54-32-36-80-42-65(54)85/h1-39,41-43H,40H2
InChIKeyPSOBGINGOFUCLJ-UHFFFAOYSA-N
MW1135.19 g/mol
LogP18.32
Rot. Bonds9

About 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole

5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole (PubChem CID 144549362) has the molecular formula C72H44F6N8 and a molecular weight of 1135.19 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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole
PubChem CID144549362
Molecular FormulaC72H44F6N8
Molecular Weight1135.19 g/mol
Exact Mass1134.36
IUPAC Name5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccncc4n5-c4ccc(Cc5ccc(-n6c7ccccc7c7ccncc76)cc5)cc4)nccc32)cc1)C(F)(F)F
InChIInChI=1S/C72H44F6N8/c73-71(74,75)70(72(76,77)78,46-20-28-50(29-21-46)83-60-13-5-2-9-53(60)58-41-79-38-34-62(58)83)47-22-30-51(31-23-47)84-61-14-6-3-10-55(61)68-64(84)35-39-82-69(68)57-11-7-15-63-67(57)56-33-37-81-43-66(56)86(63)49-26-18-45(19-27-49)40-44-16-24-48(25-17-44)85-59-12-4-1-8-52(59)54-32-36-80-42-65(54)85/h1-39,41-43H,40H2
InChIKeyPSOBGINGOFUCLJ-UHFFFAOYSA-N
XLogP18.32
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.19
LogP ≤ 518.32
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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
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-[(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
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
9-Benzyl-3-[[4-[(9-benzylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029327
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Zinc tetrabenzylpyridoporphyrin
CID 16131349
1,2-Bis(4-{[6-fluoro-3,4-dihydro-1h-carbazole-9(2h)-yl]methyl}-1h-1,2,3-triazol-1-yl)ethane
CID 134693602

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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole (CID 144549362) is 5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole is FC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccncc4n5-c4ccc(Cc5ccc(-n6c7ccccc7c7ccncc76)cc5)cc4)nccc32)cc1)C(F)(F)F.
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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole?
The InChIKey is PSOBGINGOFUCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44F6N8/c73-71(74,75)70(72(76,77)78,46-20-28-50(29-21-46)83-60-13-5-2-9-53(60)58-41-79-38-34-62(58)83)47-22-30-51(31-23-47)84-61-14-6-3-10-55(61)68-64(84)35-39-82-69(68)57-11-7-15-63-67(57)56-33-37-81-43-66(56)86(63)49-26-18-45(19-27-49)40-44-16-24-48(25-17-44)85-59-12-4-1-8-52(59)54-32-36-80-42-65(54)85/h1-39,41-43H,40H2.
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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole?
5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole has a molecular weight of 1135.19 g/mol, XLogP of 18.32, 9 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]-1-[9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indol-5-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 144549362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).