6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene

C57H62 — CID 59782352

IUPAC6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
SMILESCCC1(CC)c2cc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)ccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)cc21
InChIInChI=1S/C57H62/c1-15-57(16-2)51-27-35(41-31-49-43(25-33(41)3)45-29-37(53(5,6)7)19-23-47(45)55(49,11)12)17-21-39(51)40-22-18-36(28-52(40)57)42-32-50-44(26-34(42)4)46-30-38(54(8,9)10)20-24-48(46)56(50,13)14/h17-32H,15-16H2,1-14H3
InChIKeyFZBKOPNVMXMDEK-UHFFFAOYSA-N
MW747.12 g/mol
LogP15.93
Rot. Bonds4

About 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene

6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene (PubChem CID 59782352) has the molecular formula C57H62 and a molecular weight of 747.12 g/mol. Its IUPAC name is 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene.

Molecular Properties

Compound Name6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
PubChem CID59782352
Molecular FormulaC57H62
Molecular Weight747.12 g/mol
Exact Mass746.49
IUPAC Name6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
SMILESCCC1(CC)c2cc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)ccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)cc21
InChIInChI=1S/C57H62/c1-15-57(16-2)51-27-35(41-31-49-43(25-33(41)3)45-29-37(53(5,6)7)19-23-47(45)55(49,11)12)17-21-39(51)40-22-18-36(28-52(40)57)42-32-50-44(26-34(42)4)46-30-38(54(8,9)10)20-24-48(46)56(50,13)14/h17-32H,15-16H2,1-14H3
InChIKeyFZBKOPNVMXMDEK-UHFFFAOYSA-N
XLogP15.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.12
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
CID 59863416
CID 59863416
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
1-[7-(7-tert-butyl-9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]pyrene
CID 123355674
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
2-tert-butyl-7-[7-[7-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,9,9-trimethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluorene;2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-(3-methyl-6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluorene;7-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 158840573
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
CID 159255668

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene?
The IUPAC name of 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene (CID 59782352) is 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene.
What is the SMILES notation for 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene?
The canonical SMILES for 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene is CCC1(CC)c2cc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)ccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C(C)(C)C)ccc3C4(C)C)cc21.
What is the InChIKey of 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene?
The InChIKey is FZBKOPNVMXMDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62/c1-15-57(16-2)51-27-35(41-31-49-43(25-33(41)3)45-29-37(53(5,6)7)19-23-47(45)55(49,11)12)17-21-39(51)40-22-18-36(28-52(40)57)42-32-50-44(26-34(42)4)46-30-38(54(8,9)10)20-24-48(46)56(50,13)14/h17-32H,15-16H2,1-14H3.
What are the key properties of 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene?
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene has a molecular weight of 747.12 g/mol, XLogP of 15.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene is sourced from PubChem (CID 59782352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).