5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole

C56H34N8 — CID 138722070

IUPAC5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2-c1cc(-c2cc(-n3c4ccccc4c4cnccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3cnccc32)c1
InChIInChI=1S/C56H34N8/c1-5-13-49-41(9-1)45-31-57-21-17-53(45)61(49)37-25-35(26-38(29-37)62-50-14-6-2-10-42(50)46-32-58-22-18-54(46)62)36-27-39(63-51-15-7-3-11-43(51)47-33-59-23-19-55(47)63)30-40(28-36)64-52-16-8-4-12-44(52)48-34-60-24-20-56(48)64/h1-34H
InChIKeyDEXDSPAPJYZWGM-UHFFFAOYSA-N
MW818.94 g/mol
LogP13.32
Rot. Bonds5

About 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole

5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (PubChem CID 138722070) has the molecular formula C56H34N8 and a molecular weight of 818.94 g/mol. Its IUPAC name is 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
PubChem CID138722070
Molecular FormulaC56H34N8
Molecular Weight818.94 g/mol
Exact Mass818.29
IUPAC Name5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2-c1cc(-c2cc(-n3c4ccccc4c4cnccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3cnccc32)c1
InChIInChI=1S/C56H34N8/c1-5-13-49-41(9-1)45-31-57-21-17-53(45)61(49)37-25-35(26-38(29-37)62-50-14-6-2-10-42(50)46-32-58-22-18-54(46)62)36-27-39(63-51-15-7-3-11-43(51)47-33-59-23-19-55(47)63)30-40(28-36)64-52-16-8-4-12-44(52)48-34-60-24-20-56(48)64/h1-34H
InChIKeyDEXDSPAPJYZWGM-UHFFFAOYSA-N
XLogP13.32
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2-Methyl-5-[7-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)heptyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186425
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
5-(6-Pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
CID 122186418
5-(7-Pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
5-(8-Pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole
CID 122186420
2-Methyl-5-[6-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)hexyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186423
2-Ethyl-5-[9-(2-ethylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186433

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (CID 138722070) is 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2-c1cc(-c2cc(-n3c4ccccc4c4cnccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3cnccc32)c1.
What is the InChIKey of 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The InChIKey is DEXDSPAPJYZWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-5-13-49-41(9-1)45-31-57-21-17-53(45)61(49)37-25-35(26-38(29-37)62-50-14-6-2-10-42(50)46-32-58-22-18-54(46)62)36-27-39(63-51-15-7-3-11-43(51)47-33-59-23-19-55(47)63)30-40(28-36)64-52-16-8-4-12-44(52)48-34-60-24-20-56(48)64/h1-34H.
What are the key properties of 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole has a molecular weight of 818.94 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 138722070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).