2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole

C59H72N2 — CID 59246614

IUPAC2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)C(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)c2c(C)c(C)c(C)c(C)c2-3)c(C)c1C
InChIInChI=1S/C59H72N2/c1-25-26(2)34(10)47(35(11)27(25)3)48-39(15)40(16)52-51-38(14)28(4)31(7)41(17)53(51)59(54(52)44(48)20,57-45(21)49-36(12)29(5)32(8)42(18)55(49)60(57)23)58-46(22)50-37(13)30(6)33(9)43(19)56(50)61(58)24/h1-24H3
InChIKeyNMNGWLAJQHZJLL-UHFFFAOYSA-N
MW809.24 g/mol
LogP15.49
Rot. Bonds3

About 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole

2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole (PubChem CID 59246614) has the molecular formula C59H72N2 and a molecular weight of 809.24 g/mol. Its IUPAC name is 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole.

Molecular Properties

Compound Name2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole
PubChem CID59246614
Molecular FormulaC59H72N2
Molecular Weight809.24 g/mol
Exact Mass808.57
IUPAC Name2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)C(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)c2c(C)c(C)c(C)c(C)c2-3)c(C)c1C
InChIInChI=1S/C59H72N2/c1-25-26(2)34(10)47(35(11)27(25)3)48-39(15)40(16)52-51-38(14)28(4)31(7)41(17)53(51)59(54(52)44(48)20,57-45(21)49-36(12)29(5)32(8)42(18)55(49)60(57)23)58-46(22)50-37(13)30(6)33(9)43(19)56(50)61(58)24/h1-24H3
InChIKeyNMNGWLAJQHZJLL-UHFFFAOYSA-N
XLogP15.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.24
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole?
The IUPAC name of 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole (CID 59246614) is 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole.
What is the SMILES notation for 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole?
The canonical SMILES for 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole is Cc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)C(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)(c2c(C)c4c(C)c(C)c(C)c(C)c4n2C)c2c(C)c(C)c(C)c(C)c2-3)c(C)c1C.
What is the InChIKey of 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole?
The InChIKey is NMNGWLAJQHZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H72N2/c1-25-26(2)34(10)47(35(11)27(25)3)48-39(15)40(16)52-51-38(14)28(4)31(7)41(17)53(51)59(54(52)44(48)20,57-45(21)49-36(12)29(5)32(8)42(18)55(49)60(57)23)58-46(22)50-37(13)30(6)33(9)43(19)56(50)61(58)24/h1-24H3.
What are the key properties of 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole?
2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole has a molecular weight of 809.24 g/mol, XLogP of 15.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole is sourced from PubChem (CID 59246614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).