2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane

C33H44 — CID 144503486

IUPAC2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
SMILESC=c1c(-c2ccc3c(c2)Cc2cc(C(C)(C)C)ccc2-3)ccc(C(C)(C)C)c1=C.CC.CC
InChIInChI=1S/C29H32.2C2H6/c1-18-19(2)27(29(6,7)8)14-13-24(18)20-9-11-25-21(15-20)16-22-17-23(28(3,4)5)10-12-26(22)25;2*1-2/h9-15,17H,1-2,16H2,3-8H3;2*1-2H3
InChIKeyHRLAUYZPKNXGHW-UHFFFAOYSA-N
MW440.72 g/mol
LogP8.39
Rot. Bonds1

About 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane

2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane (PubChem CID 144503486) has the molecular formula C33H44 and a molecular weight of 440.72 g/mol. Its IUPAC name is 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane.

Molecular Properties

Compound Name2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
PubChem CID144503486
Molecular FormulaC33H44
Molecular Weight440.72 g/mol
Exact Mass440.34
IUPAC Name2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
SMILESC=c1c(-c2ccc3c(c2)Cc2cc(C(C)(C)C)ccc2-3)ccc(C(C)(C)C)c1=C.CC.CC
InChIInChI=1S/C29H32.2C2H6/c1-18-19(2)27(29(6,7)8)14-13-24(18)20-9-11-25-21(15-20)16-22-17-23(28(3,4)5)10-12-26(22)25;2*1-2/h9-15,17H,1-2,16H2,3-8H3;2*1-2H3
InChIKeyHRLAUYZPKNXGHW-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
CID 23078665
CID 23078665
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
2-tert-butyl-5-(7-tert-butyl-9H-fluoren-2-yl)-1H-imidazole
CID 118357276
2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
CID 143426439
3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
CID 87195698
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
2-tert-butyl-6-(9H-fluoren-2-yl)-4-methylphenol;carbanide;titanium(3+)
CID 59270156
dilithium bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide)
CID 159501718
3,6-ditert-butyl-2,7-bis[4-(trifluoromethyl)phenyl]-9H-fluorene;dichlorozirconium
CID 174719542
2,7-ditert-butyl-1-[cyclopenta-1,3-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
CID 86606714

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane?
The IUPAC name of 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane (CID 144503486) is 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane.
What is the SMILES notation for 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane?
The canonical SMILES for 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane is C=c1c(-c2ccc3c(c2)Cc2cc(C(C)(C)C)ccc2-3)ccc(C(C)(C)C)c1=C.CC.CC.
What is the InChIKey of 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane?
The InChIKey is HRLAUYZPKNXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32.2C2H6/c1-18-19(2)27(29(6,7)8)14-13-24(18)20-9-11-25-21(15-20)16-22-17-23(28(3,4)5)10-12-26(22)25;2*1-2/h9-15,17H,1-2,16H2,3-8H3;2*1-2H3.
What are the key properties of 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane?
2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane has a molecular weight of 440.72 g/mol, XLogP of 8.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane is sourced from PubChem (CID 144503486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).