9,9-bis(2-tert-butylphenyl)fluorene

C33H34 — CID 155616112

IUPAC9,9-bis(2-tert-butylphenyl)fluorene
SMILESCC(C)(C)c1ccccc1C1(c2ccccc2C(C)(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34/c1-31(2,3)27-19-11-13-21-29(27)33(30-22-14-12-20-28(30)32(4,5)6)25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h7-22H,1-6H3
InChIKeySGRSMPYXVNWLIB-UHFFFAOYSA-N
MW430.64 g/mol
LogP8.64
Rot. Bonds2

About 9,9-bis(2-tert-butylphenyl)fluorene

9,9-bis(2-tert-butylphenyl)fluorene (PubChem CID 155616112) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 9,9-bis(2-tert-butylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(2-tert-butylphenyl)fluorene
PubChem CID155616112
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name9,9-bis(2-tert-butylphenyl)fluorene
SMILESCC(C)(C)c1ccccc1C1(c2ccccc2C(C)(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34/c1-31(2,3)27-19-11-13-21-29(27)33(30-22-14-12-20-28(30)32(4,5)6)25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h7-22H,1-6H3
InChIKeySGRSMPYXVNWLIB-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(2-tert-butylphenyl)-9-methylfluorene
CID 101035230
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
9,9-bis(3,4-ditert-butylphenyl)fluorene
CID 164732300
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
CID 122543080
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
CID 175472927
CID 175472927
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-tert-butylphenyl)fluorene?
The IUPAC name of 9,9-bis(2-tert-butylphenyl)fluorene (CID 155616112) is 9,9-bis(2-tert-butylphenyl)fluorene.
What is the SMILES notation for 9,9-bis(2-tert-butylphenyl)fluorene?
The canonical SMILES for 9,9-bis(2-tert-butylphenyl)fluorene is CC(C)(C)c1ccccc1C1(c2ccccc2C(C)(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis(2-tert-butylphenyl)fluorene?
The InChIKey is SGRSMPYXVNWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-31(2,3)27-19-11-13-21-29(27)33(30-22-14-12-20-28(30)32(4,5)6)25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h7-22H,1-6H3.
What are the key properties of 9,9-bis(2-tert-butylphenyl)fluorene?
9,9-bis(2-tert-butylphenyl)fluorene has a molecular weight of 430.64 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-tert-butylphenyl)fluorene is sourced from PubChem (CID 155616112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).