6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole

C35H30N2 — CID 23380082

IUPAC6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)C(CC2=C3CC=CC=C3c3c2n(C)c2ccc(C)cc32)=C2CC=CC=C21
InChIInChI=1S/C35H30N2/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33/h5-8,11-18H,9-10,19H2,1-4H3
InChIKeyGQUVPWJQNURKQY-UHFFFAOYSA-N
MW478.64 g/mol
LogP8.60
Rot. Bonds2

About 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole

6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole (PubChem CID 23380082) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole.

Molecular Properties

Compound Name6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole
PubChem CID23380082
Molecular FormulaC35H30N2
Molecular Weight478.64 g/mol
Exact Mass478.24
IUPAC Name6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)C(CC2=C3CC=CC=C3c3c2n(C)c2ccc(C)cc32)=C2CC=CC=C21
InChIInChI=1S/C35H30N2/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33/h5-8,11-18H,9-10,19H2,1-4H3
InChIKeyGQUVPWJQNURKQY-UHFFFAOYSA-N
XLogP8.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole with MolForge

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Related Compounds

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CID 170858085
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CID 164939565
1-bromo-3,6,9-trimethylcarbazole
CID 174908796
9-iodo-3,6-dimethylcarbazole
CID 129082868
1,2,5-trimethylindole-3-thiol
CID 142076478
4-[(1,6-dimethyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohepta-1,3,6-triene-1-carboxylic acid;ethane
CID 142859045
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
CID 84635895
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
3-methyl-9-oxidocarbazole
CID 166517305
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
7,10-dimethyl-3,4-dihydrobenzo[c]carbazole
CID 146329246

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole?
The IUPAC name of 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole (CID 23380082) is 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole.
What is the SMILES notation for 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole?
The canonical SMILES for 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole is Cc1ccc2c(c1)c1c(n2C)C(CC2=C3CC=CC=C3c3c2n(C)c2ccc(C)cc32)=C2CC=CC=C21.
What is the InChIKey of 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole?
The InChIKey is GQUVPWJQNURKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33/h5-8,11-18H,9-10,19H2,1-4H3.
What are the key properties of 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole?
6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole has a molecular weight of 478.64 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethyl-7H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-7H-indeno[2,1-b]indole is sourced from PubChem (CID 23380082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).