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

C33H26N2 — CID 18424916

IUPAC5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
SMILESCn1c2c(c3ccccc31)-c1ccccc1C2CC1c2ccccc2-c2c1n(C)c1ccccc21
InChIInChI=1S/C33H26N2/c1-34-28-17-9-7-15-24(28)30-22-13-5-3-11-20(22)26(32(30)34)19-27-21-12-4-6-14-23(21)31-25-16-8-10-18-29(25)35(2)33(27)31/h3-18,26-27H,19H2,1-2H3
InChIKeyVGBJEBOQWVWQKI-UHFFFAOYSA-N
MW450.59 g/mol
LogP7.98
Rot. Bonds2

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

5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole (PubChem CID 18424916) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole.

Molecular Properties

Compound Name5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
PubChem CID18424916
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC Name5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
SMILESCn1c2c(c3ccccc31)-c1ccccc1C2CC1c2ccccc2-c2c1n(C)c1ccccc21
InChIInChI=1S/C33H26N2/c1-34-28-17-9-7-15-24(28)30-22-13-5-3-11-20(22)26(32(30)34)19-27-21-12-4-6-14-23(21)31-25-16-8-10-18-29(25)35(2)33(27)31/h3-18,26-27H,19H2,1-2H3
InChIKeyVGBJEBOQWVWQKI-UHFFFAOYSA-N
XLogP7.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole?
The IUPAC name of 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole (CID 18424916) is 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole.
What is the SMILES notation for 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole?
The canonical SMILES for 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole is Cn1c2c(c3ccccc31)-c1ccccc1C2CC1c2ccccc2-c2c1n(C)c1ccccc21.
What is the InChIKey of 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole?
The InChIKey is VGBJEBOQWVWQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-34-28-17-9-7-15-24(28)30-22-13-5-3-11-20(22)26(32(30)34)19-27-21-12-4-6-14-23(21)31-25-16-8-10-18-29(25)35(2)33(27)31/h3-18,26-27H,19H2,1-2H3.
What are the key properties of 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole?
5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole has a molecular weight of 450.59 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole is sourced from PubChem (CID 18424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).