1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole

C34H26N4S2 — CID 135188406

IUPAC1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole
SMILESCc1sccc1-c1nccc2c3ccccc3n(CCn3c4ccccc4c4ccnc(-c5ccsc5C)c43)c12
InChIInChI=1S/C34H26N4S2/c1-21-23(13-19-39-21)31-33-27(11-15-35-31)25-7-3-5-9-29(25)37(33)17-18-38-30-10-6-4-8-26(30)28-12-16-36-32(34(28)38)24-14-20-40-22(24)2/h3-16,19-20H,17-18H2,1-2H3
InChIKeyKXLAFBFSDNHZSE-UHFFFAOYSA-N
MW554.74 g/mol
LogP9.47
Rot. Bonds5

About 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole

1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole (PubChem CID 135188406) has the molecular formula C34H26N4S2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole
PubChem CID135188406
Molecular FormulaC34H26N4S2
Molecular Weight554.74 g/mol
Exact Mass554.16
IUPAC Name1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole
SMILESCc1sccc1-c1nccc2c3ccccc3n(CCn3c4ccccc4c4ccnc(-c5ccsc5C)c43)c12
InChIInChI=1S/C34H26N4S2/c1-21-23(13-19-39-21)31-33-27(11-15-35-31)25-7-3-5-9-29(25)37(33)17-18-38-30-10-6-4-8-26(30)28-12-16-36-32(34(28)38)24-14-20-40-22(24)2/h3-16,19-20H,17-18H2,1-2H3
InChIKeyKXLAFBFSDNHZSE-UHFFFAOYSA-N
XLogP9.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

1-(2-methylthiophen-3-yl)-9-[6-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]hexyl]pyrido[3,4-b]indole
CID 71539198
1-thiophen-3-yl-9-[6-(1-thiophen-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539239
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
1-(6-methyl-3-pyridinyl)-9-[12-[1-(6-methyl-3-pyridinyl)pyrido[3,4-b]indol-9-yl]dodecyl]pyrido[3,4-b]indole
CID 71539238
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
CID 144721935
9-(thiophen-2-ylmethyl)-1-[9-(thiophen-2-ylmethyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indole
CID 140711325
9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine
CID 154704000
9-butyl-N-methylpyrido[3,4-b]indol-1-amine
CID 151947082
9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
CID 126583667
9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
CID 17039129
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
9-ethylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373637

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole?
The IUPAC name of 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole (CID 135188406) is 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole is Cc1sccc1-c1nccc2c3ccccc3n(CCn3c4ccccc4c4ccnc(-c5ccsc5C)c43)c12.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole?
The InChIKey is KXLAFBFSDNHZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4S2/c1-21-23(13-19-39-21)31-33-27(11-15-35-31)25-7-3-5-9-29(25)37(33)17-18-38-30-10-6-4-8-26(30)28-12-16-36-32(34(28)38)24-14-20-40-22(24)2/h3-16,19-20H,17-18H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole?
1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole has a molecular weight of 554.74 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole is sourced from PubChem (CID 135188406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).