2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene

C36H40 — CID 58986962

IUPAC2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
SMILESCc1ccc(-c2ccc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)cc2)cc1
InChIInChI=1S/C36H40/c1-23-10-12-24(13-11-23)25-14-16-26(17-15-25)30-20-28(35(5,6)7)22-32-33(30)29-19-18-27(34(2,3)4)21-31(29)36(32,8)9/h10-22H,1-9H3
InChIKeyCGCPVCVWHUPSGH-UHFFFAOYSA-N
MW472.72 g/mol
LogP10.23
Rot. Bonds2

About 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene

2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene (PubChem CID 58986962) has the molecular formula C36H40 and a molecular weight of 472.72 g/mol. Its IUPAC name is 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
PubChem CID58986962
Molecular FormulaC36H40
Molecular Weight472.72 g/mol
Exact Mass472.31
IUPAC Name2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
SMILESCc1ccc(-c2ccc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)cc2)cc1
InChIInChI=1S/C36H40/c1-23-10-12-24(13-11-23)25-14-16-26(17-15-25)30-20-28(35(5,6)7)22-32-33(30)29-19-18-27(34(2,3)4)21-31(29)36(32,8)9/h10-22H,1-9H3
InChIKeyCGCPVCVWHUPSGH-UHFFFAOYSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
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
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511707
3-[6-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454013
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine
CID 118952284
4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]butyl prop-2-enoate
CID 118933480

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene?
The IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene (CID 58986962) is 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene?
The canonical SMILES for 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene is Cc1ccc(-c2ccc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)cc2)cc1.
What is the InChIKey of 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene?
The InChIKey is CGCPVCVWHUPSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40/c1-23-10-12-24(13-11-23)25-14-16-26(17-15-25)30-20-28(35(5,6)7)22-32-33(30)29-19-18-27(34(2,3)4)21-31(29)36(32,8)9/h10-22H,1-9H3.
What are the key properties of 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene?
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene has a molecular weight of 472.72 g/mol, XLogP of 10.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene is sourced from PubChem (CID 58986962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).