5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline

C32H22N4 — CID 10457065

IUPAC5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline
SMILESCn1c2c3ccccc3nc-2c(-c2c3nc4ccccc4c-3n(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H22N4/c1-35-25-17-9-5-13-21(25)27(29-31(35)19-11-3-7-15-23(19)33-29)28-22-14-6-10-18-26(22)36(2)32-20-12-4-8-16-24(20)34-30(28)32/h3-18H,1-2H3
InChIKeyGPXBTNAIIIXHOX-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.64
Rot. Bonds1

About 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline

5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline (PubChem CID 10457065) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline.

Molecular Properties

Compound Name5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline
PubChem CID10457065
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline
SMILESCn1c2c3ccccc3nc-2c(-c2c3nc4ccccc4c-3n(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H22N4/c1-35-25-17-9-5-13-21(25)27(29-31(35)19-11-3-7-15-23(19)33-29)28-22-14-6-10-18-26(22)36(2)32-20-12-4-8-16-24(20)34-30(28)32/h3-18H,1-2H3
InChIKeyGPXBTNAIIIXHOX-UHFFFAOYSA-N
XLogP7.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

Mebhydrolin
CID 22530
Cryptolepine
CID 82143
Cryptolepine hydrochloride
CID 156093
Syuiq-5
CID 10567578
9-Methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
Cryptoleptine iodide
CID 10570484
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
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
N,9-dimethyl-N-(2-methylquinolin-4-yl)carbazol-3-amine
CID 146506866
Dihydrousambarensine
CID 136099744
Mimbane
CID 253676

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline?
The IUPAC name of 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline (CID 10457065) is 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline.
What is the SMILES notation for 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline?
The canonical SMILES for 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline is Cn1c2c3ccccc3nc-2c(-c2c3nc4ccccc4c-3n(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline?
The InChIKey is GPXBTNAIIIXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-35-25-17-9-5-13-21(25)27(29-31(35)19-11-3-7-15-23(19)33-29)28-22-14-6-10-18-26(22)36(2)32-20-12-4-8-16-24(20)34-30(28)32/h3-18H,1-2H3.
What are the key properties of 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline?
5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline has a molecular weight of 462.56 g/mol, XLogP of 7.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-(5-methylindolo[3,2-b]quinolin-11-yl)indolo[3,2-b]quinoline is sourced from PubChem (CID 10457065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).