9,9-bis(3,4-ditert-butylphenyl)fluorene

C41H50 — CID 164732300

IUPAC9,9-bis(3,4-ditert-butylphenyl)fluorene
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C
InChIInChI=1S/C41H50/c1-37(2,3)33-23-21-27(25-35(33)39(7,8)9)41(28-22-24-34(38(4,5)6)36(26-28)40(10,11)12)31-19-15-13-17-29(31)30-18-14-16-20-32(30)41/h13-26H,1-12H3
InChIKeyBRVYDTPSWOSNTB-UHFFFAOYSA-N
MW542.85 g/mol
LogP11.24
Rot. Bonds2

About 9,9-bis(3,4-ditert-butylphenyl)fluorene

9,9-bis(3,4-ditert-butylphenyl)fluorene (PubChem CID 164732300) has the molecular formula C41H50 and a molecular weight of 542.85 g/mol. Its IUPAC name is 9,9-bis(3,4-ditert-butylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(3,4-ditert-butylphenyl)fluorene
PubChem CID164732300
Molecular FormulaC41H50
Molecular Weight542.85 g/mol
Exact Mass542.39
IUPAC Name9,9-bis(3,4-ditert-butylphenyl)fluorene
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C
InChIInChI=1S/C41H50/c1-37(2,3)33-23-21-27(25-35(33)39(7,8)9)41(28-22-24-34(38(4,5)6)36(26-28)40(10,11)12)31-19-15-13-17-29(31)30-18-14-16-20-32(30)41/h13-26H,1-12H3
InChIKeyBRVYDTPSWOSNTB-UHFFFAOYSA-N
XLogP11.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90246896
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
2,3-ditert-butyltetraphenylene
CID 166497085
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266
9,9-bis(4-methylsulfanylphenyl)fluorene
CID 59263565

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,4-ditert-butylphenyl)fluorene?
The IUPAC name of 9,9-bis(3,4-ditert-butylphenyl)fluorene (CID 164732300) is 9,9-bis(3,4-ditert-butylphenyl)fluorene.
What is the SMILES notation for 9,9-bis(3,4-ditert-butylphenyl)fluorene?
The canonical SMILES for 9,9-bis(3,4-ditert-butylphenyl)fluorene is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C.
What is the InChIKey of 9,9-bis(3,4-ditert-butylphenyl)fluorene?
The InChIKey is BRVYDTPSWOSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50/c1-37(2,3)33-23-21-27(25-35(33)39(7,8)9)41(28-22-24-34(38(4,5)6)36(26-28)40(10,11)12)31-19-15-13-17-29(31)30-18-14-16-20-32(30)41/h13-26H,1-12H3.
What are the key properties of 9,9-bis(3,4-ditert-butylphenyl)fluorene?
9,9-bis(3,4-ditert-butylphenyl)fluorene has a molecular weight of 542.85 g/mol, XLogP of 11.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,4-ditert-butylphenyl)fluorene is sourced from PubChem (CID 164732300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).