2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene

C33H40 — CID 143426439

IUPAC2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C(C)(C)C)c4c3CCCC4)ccc1-2
InChIInChI=1S/C33H40/c1-31(2,3)22-14-16-27-26-15-13-21(19-29(26)33(7,8)30(27)20-22)23-17-18-28(32(4,5)6)25-12-10-9-11-24(23)25/h13-20H,9-12H2,1-8H3
InChIKeyBQXBQXHMICXOOO-UHFFFAOYSA-N
MW436.68 g/mol
LogP9.13
Rot. Bonds1

About 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene

2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene (PubChem CID 143426439) has the molecular formula C33H40 and a molecular weight of 436.68 g/mol. Its IUPAC name is 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
PubChem CID143426439
Molecular FormulaC33H40
Molecular Weight436.68 g/mol
Exact Mass436.31
IUPAC Name2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C(C)(C)C)c4c3CCCC4)ccc1-2
InChIInChI=1S/C33H40/c1-31(2,3)22-14-16-27-26-15-13-21(19-29(26)33(7,8)30(27)20-22)23-17-18-28(32(4,5)6)25-12-10-9-11-24(23)25/h13-20H,9-12H2,1-8H3
InChIKeyBQXBQXHMICXOOO-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene with MolForge

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Related Compounds

2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
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
4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
CID 58389605
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
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
3-(7-tert-butyl-9,9-dimethylfluoren-2-yl)isoquinoline
CID 59798576

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene?
The IUPAC name of 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene (CID 143426439) is 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C(C)(C)C)c4c3CCCC4)ccc1-2.
What is the InChIKey of 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene?
The InChIKey is BQXBQXHMICXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40/c1-31(2,3)22-14-16-27-26-15-13-21(19-29(26)33(7,8)30(27)20-22)23-17-18-28(32(4,5)6)25-12-10-9-11-24(23)25/h13-20H,9-12H2,1-8H3.
What are the key properties of 2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene?
2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene has a molecular weight of 436.68 g/mol, XLogP of 9.13, 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-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 143426439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).