3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene

C89H82O2 — CID 163528380

IUPAC3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.COc1ccc2c(c1)-c1cc(OC)ccc1C2.Cc1ccc2c(c1)-c1cc(C)ccc1C2.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H18.C21H26.C15H14O2.C15H14.C13H10/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)14(10)8-12;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-14,16-17H,15H2;7-10,12-13H,11H2,1-6H3;3-6,8-9H,7H2,1-2H3;3-8H,9H2,1-2H3;1-8H,9H2
InChIKeyDQUZDWDGNUCFQA-UHFFFAOYSA-N
MW1183.63 g/mol
LogP22.85
Rot. Bonds4

About 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene

3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene (PubChem CID 163528380) has the molecular formula C89H82O2 and a molecular weight of 1183.63 g/mol. Its IUPAC name is 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene.

Molecular Properties

Compound Name3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene
PubChem CID163528380
Molecular FormulaC89H82O2
Molecular Weight1183.63 g/mol
Exact Mass1182.63
IUPAC Name3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.COc1ccc2c(c1)-c1cc(OC)ccc1C2.Cc1ccc2c(c1)-c1cc(C)ccc1C2.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H18.C21H26.C15H14O2.C15H14.C13H10/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)14(10)8-12;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-14,16-17H,15H2;7-10,12-13H,11H2,1-6H3;3-6,8-9H,7H2,1-2H3;3-8H,9H2,1-2H3;1-8H,9H2
InChIKeyDQUZDWDGNUCFQA-UHFFFAOYSA-N
XLogP22.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.63
LogP ≤ 522.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene?
The IUPAC name of 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene (CID 163528380) is 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene.
What is the SMILES notation for 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene?
The canonical SMILES for 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.COc1ccc2c(c1)-c1cc(OC)ccc1C2.Cc1ccc2c(c1)-c1cc(C)ccc1C2.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene?
The InChIKey is DQUZDWDGNUCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C21H26.C15H14O2.C15H14.C13H10/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)14(10)8-12;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-14,16-17H,15H2;7-10,12-13H,11H2,1-6H3;3-6,8-9H,7H2,1-2H3;3-8H,9H2,1-2H3;1-8H,9H2.
What are the key properties of 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene?
3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene has a molecular weight of 1183.63 g/mol, XLogP of 22.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9H-fluorene;3,6-dimethoxy-9H-fluorene;3,6-dimethyl-9H-fluorene;3,6-diphenyl-9H-fluorene;9H-fluorene is sourced from PubChem (CID 163528380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).