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

C34H42N4 — CID 59181170

IUPAC3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole
SMILESCc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C34H42N4/c1-15-17(3)21(7)33-29(19(15)5)27(13)35-37(33)31-23(9)25(11)32(26(12)24(31)10)38-34-22(8)18(4)16(2)20(6)30(34)28(14)36-38/h1-14H3
InChIKeyQUBHBKHOIZKDKP-UHFFFAOYSA-N
MW506.74 g/mol
LogP8.68
Rot. Bonds2

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

3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole (PubChem CID 59181170) has the molecular formula C34H42N4 and a molecular weight of 506.74 g/mol. Its IUPAC name is 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole.

Molecular Properties

Compound Name3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole
PubChem CID59181170
Molecular FormulaC34H42N4
Molecular Weight506.74 g/mol
Exact Mass506.34
IUPAC Name3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole
SMILESCc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C34H42N4/c1-15-17(3)21(7)33-29(19(15)5)27(13)35-37(33)31-23(9)25(11)32(26(12)24(31)10)38-34-22(8)18(4)16(2)20(6)30(34)28(14)36-38/h1-14H3
InChIKeyQUBHBKHOIZKDKP-UHFFFAOYSA-N
XLogP8.68
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole?
The IUPAC name of 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole (CID 59181170) is 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole.
What is the SMILES notation for 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole?
The canonical SMILES for 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole is Cc1c(C)c(-n2nc(C)c3c(C)c(C)c(C)c(C)c32)c(C)c(C)c1-n1nc(C)c2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole?
The InChIKey is QUBHBKHOIZKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4/c1-15-17(3)21(7)33-29(19(15)5)27(13)35-37(33)31-23(9)25(11)32(26(12)24(31)10)38-34-22(8)18(4)16(2)20(6)30(34)28(14)36-38/h1-14H3.
What are the key properties of 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole?
3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole has a molecular weight of 506.74 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole is sourced from PubChem (CID 59181170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).