1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole

C31H30N2 — CID 69152193

IUPAC1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(Cc3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12
InChIInChI=1S/C31H30N2/c1-14-9-26-24(28-18(5)16(3)20(7)30(28)32-26)12-22(14)11-23-13-25-27(10-15(23)2)33-31-21(8)17(4)19(6)29(25)31/h9-10,12-13H,11H2,1-8H3
InChIKeyKRVGGHPKMWUWLR-UHFFFAOYSA-N
MW430.60 g/mol
LogP8.31
Rot. Bonds2

About 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole

1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole (PubChem CID 69152193) has the molecular formula C31H30N2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole
PubChem CID69152193
Molecular FormulaC31H30N2
Molecular Weight430.60 g/mol
Exact Mass430.24
IUPAC Name1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(Cc3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12
InChIInChI=1S/C31H30N2/c1-14-9-26-24(28-18(5)16(3)20(7)30(28)32-26)12-22(14)11-23-13-25-27(10-15(23)2)33-31-21(8)17(4)19(6)29(25)31/h9-10,12-13H,11H2,1-8H3
InChIKeyKRVGGHPKMWUWLR-UHFFFAOYSA-N
XLogP8.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole?
The IUPAC name of 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole (CID 69152193) is 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole.
What is the SMILES notation for 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole?
The canonical SMILES for 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole is CC1=C(C)C(C)=C2C1=Nc1cc(C)c(Cc3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12.
What is the InChIKey of 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole?
The InChIKey is KRVGGHPKMWUWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2/c1-14-9-26-24(28-18(5)16(3)20(7)30(28)32-26)12-22(14)11-23-13-25-27(10-15(23)2)33-31-21(8)17(4)19(6)29(25)31/h9-10,12-13H,11H2,1-8H3.
What are the key properties of 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole?
1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole has a molecular weight of 430.60 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole is sourced from PubChem (CID 69152193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).