2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole

C44H54N4 — CID 58261326

IUPAC2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole
SMILESCc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-c1c(C)c(C)c(-n2c(C)nc3c(C)c(C)c(C)c(C)c32)c(C)c1C
InChIInChI=1S/C44H54N4/c1-19-21(3)29(11)43-39(23(19)5)35(17)46-48(43)42-33(15)26(8)38(27(9)34(42)16)37-24(6)31(13)41(32(14)25(37)7)47-36(18)45-40-28(10)20(2)22(4)30(12)44(40)47/h1-18H3
InChIKeyWTWNIXNHROLOES-UHFFFAOYSA-N
MW638.94 g/mol
LogP11.58
Rot. Bonds3

About 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole

2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole (PubChem CID 58261326) has the molecular formula C44H54N4 and a molecular weight of 638.94 g/mol. Its IUPAC name is 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole
PubChem CID58261326
Molecular FormulaC44H54N4
Molecular Weight638.94 g/mol
Exact Mass638.43
IUPAC Name2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole
SMILESCc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-c1c(C)c(C)c(-n2c(C)nc3c(C)c(C)c(C)c(C)c32)c(C)c1C
InChIInChI=1S/C44H54N4/c1-19-21(3)29(11)43-39(23(19)5)35(17)46-48(43)42-33(15)26(8)38(27(9)34(42)16)37-24(6)31(13)41(32(14)25(37)7)47-36(18)45-40-28(10)20(2)22(4)30(12)44(40)47/h1-18H3
InChIKeyWTWNIXNHROLOES-UHFFFAOYSA-N
XLogP11.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.94
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole (CID 58261326) is 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole is Cc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-c1c(C)c(C)c(-n2c(C)nc3c(C)c(C)c(C)c(C)c32)c(C)c1C.
What is the InChIKey of 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole?
The InChIKey is WTWNIXNHROLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N4/c1-19-21(3)29(11)43-39(23(19)5)35(17)46-48(43)42-33(15)26(8)38(27(9)34(42)16)37-24(6)31(13)41(32(14)25(37)7)47-36(18)45-40-28(10)20(2)22(4)30(12)44(40)47/h1-18H3.
What are the key properties of 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole?
2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole has a molecular weight of 638.94 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 58261326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).