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

C47H60N4 — CID 59181203

IUPAC1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole
SMILESCc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(c(C)nn4C)c3C)c(C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(c(C)nn2C)c1C
InChIInChI=1S/C47H60N4/c1-21-27(7)43(28(8)22(2)37(21)39-25(5)31(11)45-41(33(39)13)35(15)48-50(45)19)47(17,18)44-29(9)23(3)38(24(4)30(44)10)40-26(6)32(12)46-42(34(40)14)36(16)49-51(46)20/h1-20H3
InChIKeyAVIDLUSUEKOJGI-UHFFFAOYSA-N
MW681.03 g/mol
LogP12.05
Rot. Bonds4

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

1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole (PubChem CID 59181203) has the molecular formula C47H60N4 and a molecular weight of 681.03 g/mol. Its IUPAC name is 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole.

Molecular Properties

Compound Name1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole
PubChem CID59181203
Molecular FormulaC47H60N4
Molecular Weight681.03 g/mol
Exact Mass680.48
IUPAC Name1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole
SMILESCc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(c(C)nn4C)c3C)c(C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(c(C)nn2C)c1C
InChIInChI=1S/C47H60N4/c1-21-27(7)43(28(8)22(2)37(21)39-25(5)31(11)45-41(33(39)13)35(15)48-50(45)19)47(17,18)44-29(9)23(3)38(24(4)30(44)10)40-26(6)32(12)46-42(34(40)14)36(16)49-51(46)20/h1-20H3
InChIKeyAVIDLUSUEKOJGI-UHFFFAOYSA-N
XLogP12.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.03
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]propan-2-yl]phenyl]benzotriazole
CID 59246650
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
CID 59246644
1-[1,2,3,4,5,6,8-heptamethyl-9-(3,4,5,6,7-pentamethylindazol-1-yl)-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-3,4,5,6,7-pentamethylindazole
CID 59181223
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
1-[4,6-dimethyl-2-(3,4,5,6,7-pentamethylindazol-1-yl)pyrimidin-5-yl]-3,4,5,6,7-pentamethylindazole
CID 58250526
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66058119
1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033
1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 82184007
7-fluoro-1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine
CID 178093283
5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole
CID 132608963
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole?
The IUPAC name of 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole (CID 59181203) is 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole.
What is the SMILES notation for 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole?
The canonical SMILES for 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole is Cc1c(C)c(C(C)(C)c2c(C)c(C)c(-c3c(C)c(C)c4c(c(C)nn4C)c3C)c(C)c2C)c(C)c(C)c1-c1c(C)c(C)c2c(c(C)nn2C)c1C.
What is the InChIKey of 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole?
The InChIKey is AVIDLUSUEKOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N4/c1-21-27(7)43(28(8)22(2)37(21)39-25(5)31(11)45-41(33(39)13)35(15)48-50(45)19)47(17,18)44-29(9)23(3)38(24(4)30(44)10)40-26(6)32(12)46-42(34(40)14)36(16)49-51(46)20/h1-20H3.
What are the key properties of 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole?
1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole has a molecular weight of 681.03 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7-pentamethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,3,4,6,7-pentamethylindazol-5-yl)phenyl]propan-2-yl]phenyl]indazole is sourced from PubChem (CID 59181203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).