1-tert-butyl-2-phenyl-9H-fluorene

C23H22 — CID 172750922

IUPAC1-tert-butyl-2-phenyl-9H-fluorene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H22/c1-23(2,3)22-19(16-9-5-4-6-10-16)13-14-20-18-12-8-7-11-17(18)15-21(20)22/h4-14H,15H2,1-3H3
InChIKeyKJAKXXYALUUKRL-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.22
Rot. Bonds1

About 1-tert-butyl-2-phenyl-9H-fluorene

1-tert-butyl-2-phenyl-9H-fluorene (PubChem CID 172750922) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-tert-butyl-2-phenyl-9H-fluorene.

Molecular Properties

Compound Name1-tert-butyl-2-phenyl-9H-fluorene
PubChem CID172750922
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name1-tert-butyl-2-phenyl-9H-fluorene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H22/c1-23(2,3)22-19(16-9-5-4-6-10-16)13-14-20-18-12-8-7-11-17(18)15-21(20)22/h4-14H,15H2,1-3H3
InChIKeyKJAKXXYALUUKRL-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
1,2-bis(tribromomethyl)-9H-fluorene
CID 151330255
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
CID 174986873
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
10-phenyl-12H-fluoreno[1,2-b][1]benzofuran
CID 164962558
2-tert-butyl-1-chloro-3-phenylbenzene
CID 54287160

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenyl-9H-fluorene?
The IUPAC name of 1-tert-butyl-2-phenyl-9H-fluorene (CID 172750922) is 1-tert-butyl-2-phenyl-9H-fluorene.
What is the SMILES notation for 1-tert-butyl-2-phenyl-9H-fluorene?
The canonical SMILES for 1-tert-butyl-2-phenyl-9H-fluorene is CC(C)(C)c1c(-c2ccccc2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-tert-butyl-2-phenyl-9H-fluorene?
The InChIKey is KJAKXXYALUUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-23(2,3)22-19(16-9-5-4-6-10-16)13-14-20-18-12-8-7-11-17(18)15-21(20)22/h4-14H,15H2,1-3H3.
What are the key properties of 1-tert-butyl-2-phenyl-9H-fluorene?
1-tert-butyl-2-phenyl-9H-fluorene has a molecular weight of 298.43 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-phenyl-9H-fluorene is sourced from PubChem (CID 172750922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).