1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole

C25H33N — CID 59246621

IUPAC1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(C)c3c2c(C)c(C)n3C)c(C)c1C
InChIInChI=1S/C25H33N/c1-12-13(2)16(5)22(17(6)14(12)3)23-18(7)15(4)19(8)25-24(23)20(9)21(10)26(25)11/h1-11H3
InChIKeyRXPCRUJBJGUGNX-UHFFFAOYSA-N
MW347.55 g/mol
LogP6.93
Rot. Bonds1

About 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole

1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole (PubChem CID 59246621) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole.

Molecular Properties

Compound Name1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
PubChem CID59246621
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c(C)c3c2c(C)c(C)n3C)c(C)c1C
InChIInChI=1S/C25H33N/c1-12-13(2)16(5)22(17(6)14(12)3)23-18(7)15(4)19(8)25-24(23)20(9)21(10)26(25)11/h1-11H3
InChIKeyRXPCRUJBJGUGNX-UHFFFAOYSA-N
XLogP6.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole?
The IUPAC name of 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole (CID 59246621) is 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole.
What is the SMILES notation for 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole?
The canonical SMILES for 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole is Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c3c2c(C)c(C)n3C)c(C)c1C.
What is the InChIKey of 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole?
The InChIKey is RXPCRUJBJGUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N/c1-12-13(2)16(5)22(17(6)14(12)3)23-18(7)15(4)19(8)25-24(23)20(9)21(10)26(25)11/h1-11H3.
What are the key properties of 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole?
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole has a molecular weight of 347.55 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole is sourced from PubChem (CID 59246621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).