tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)

C204H168 — CID 159712751

IUPACtris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
SMILESCc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34
InChIInChI=1S/3C36H32.3C32H24/c3*1-21-17-24-8-7-22-9-13-27(30-15-11-25(18-21)33(24)34(22)30)23-10-14-28-29-16-12-26(35(2,3)4)20-32(29)36(5,6)31(28)19-23;3*1-19-16-22-9-8-20-10-13-24(27-15-12-23(17-19)30(22)31(20)27)21-11-14-26-25-6-4-5-7-28(25)32(2,3)29(26)18-21/h3*7-20H,1-6H3;3*4-18H,1-3H3
InChIKeyMZAYFIPKOAVGRW-UHFFFAOYSA-N
MW2619.59 g/mol
LogP57.09
Rot. Bonds6

About tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)

tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene) (PubChem CID 159712751) has the molecular formula C204H168 and a molecular weight of 2619.59 g/mol. Its IUPAC name is tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene).

Molecular Properties

Compound Nametris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
PubChem CID159712751
Molecular FormulaC204H168
Molecular Weight2619.59 g/mol
Exact Mass2617.31
IUPAC Nametris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
SMILESCc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34
InChIInChI=1S/3C36H32.3C32H24/c3*1-21-17-24-8-7-22-9-13-27(30-15-11-25(18-21)33(24)34(22)30)23-10-14-28-29-16-12-26(35(2,3)4)20-32(29)36(5,6)31(28)19-23;3*1-19-16-22-9-8-20-10-13-24(27-15-12-23(17-19)30(22)31(20)27)21-11-14-26-25-6-4-5-7-28(25)32(2,3)29(26)18-21/h3*7-20H,1-6H3;3*4-18H,1-3H3
InChIKeyMZAYFIPKOAVGRW-UHFFFAOYSA-N
XLogP57.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002619.59
LogP ≤ 557.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
CID 158674016
1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
CID 159148611
9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
CID 91155116
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162
7-tert-butyl-1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-methylpyrene;1-[4-(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]pyrene;7-tert-butyl-1-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;2,7-ditert-butyl-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrene
CID 162218969
7-tert-butyl-1-[3-(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-3-methylpyrene;7-tert-butyl-1-[3-(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]pyrene;7-tert-butyl-1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-methylpyrene;7-tert-butyl-1-[2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]pyrene;7-tert-butyl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyrene;7-tert-butyl-1-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;7-tert-butyl-1-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]pyrene;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyrene;1-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrene;molecular hydrogen
CID 159599875
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
5-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]benzo[c]phenanthrene
CID 58390243
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-2-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)-2-naphthalen-1-ylanthracene
CID 161305898

Frequently Asked Questions

What is the IUPAC name of tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)?
The IUPAC name of tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene) (CID 159712751) is tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene).
What is the SMILES notation for tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)?
The canonical SMILES for tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene) is Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(c1)c2c34.
What is the InChIKey of tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)?
The InChIKey is MZAYFIPKOAVGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H32.3C32H24/c3*1-21-17-24-8-7-22-9-13-27(30-15-11-25(18-21)33(24)34(22)30)23-10-14-28-29-16-12-26(35(2,3)4)20-32(29)36(5,6)31(28)19-23;3*1-19-16-22-9-8-20-10-13-24(27-15-12-23(17-19)30(22)31(20)27)21-11-14-26-25-6-4-5-7-28(25)32(2,3)29(26)18-21/h3*7-20H,1-6H3;3*4-18H,1-3H3.
What are the key properties of tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)?
tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene) has a molecular weight of 2619.59 g/mol, XLogP of 57.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene) is sourced from PubChem (CID 159712751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).