2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole

C26H24N2 — CID 166805679

IUPAC2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
SMILESCc1cc(C)cc(C2=Nc3cc4c(cc3C2)N=C(c2cc(C)cc(C)c2)C4)c1
InChIInChI=1S/C26H24N2/c1-15-5-16(2)8-19(7-15)23-11-21-13-26-22(14-25(21)27-23)12-24(28-26)20-9-17(3)6-18(4)10-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNVZTWSNXWCVXSC-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.27
Rot. Bonds2

About 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole

2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole (PubChem CID 166805679) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
PubChem CID166805679
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
SMILESCc1cc(C)cc(C2=Nc3cc4c(cc3C2)N=C(c2cc(C)cc(C)c2)C4)c1
InChIInChI=1S/C26H24N2/c1-15-5-16(2)8-19(7-15)23-11-21-13-26-22(14-25(21)27-23)12-24(28-26)20-9-17(3)6-18(4)10-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNVZTWSNXWCVXSC-UHFFFAOYSA-N
XLogP6.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole?
The IUPAC name of 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole (CID 166805679) is 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole.
What is the SMILES notation for 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole?
The canonical SMILES for 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole is Cc1cc(C)cc(C2=Nc3cc4c(cc3C2)N=C(c2cc(C)cc(C)c2)C4)c1.
What is the InChIKey of 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole?
The InChIKey is NVZTWSNXWCVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-15-5-16(2)8-19(7-15)23-11-21-13-26-22(14-25(21)27-23)12-24(28-26)20-9-17(3)6-18(4)10-20/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole?
2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole has a molecular weight of 364.49 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole is sourced from PubChem (CID 166805679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).