2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene

C31H30 — CID 159906314

IUPAC2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene
SMILESCc1ccc(-c2ccc(C3(C)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1
InChIInChI=1S/C31H30/c1-19-7-9-24(10-8-19)25-11-13-26(14-12-25)31(6)29-17-22(4)20(2)15-27(29)28-16-21(3)23(5)18-30(28)31/h7-18H,1-6H3
InChIKeyBBSHYZFLPUDQJI-UHFFFAOYSA-N
MW402.58 g/mol
LogP8.23
Rot. Bonds2

About 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene

2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene (PubChem CID 159906314) has the molecular formula C31H30 and a molecular weight of 402.58 g/mol. Its IUPAC name is 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene
PubChem CID159906314
Molecular FormulaC31H30
Molecular Weight402.58 g/mol
Exact Mass402.23
IUPAC Name2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene
SMILESCc1ccc(-c2ccc(C3(C)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1
InChIInChI=1S/C31H30/c1-19-7-9-24(10-8-19)25-11-13-26(14-12-25)31(6)29-17-22(4)20(2)15-27(29)28-16-21(3)23(5)18-30(28)31/h7-18H,1-6H3
InChIKeyBBSHYZFLPUDQJI-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene?
The IUPAC name of 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene (CID 159906314) is 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene.
What is the SMILES notation for 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene?
The canonical SMILES for 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene is Cc1ccc(-c2ccc(C3(C)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1.
What is the InChIKey of 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene?
The InChIKey is BBSHYZFLPUDQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30/c1-19-7-9-24(10-8-19)25-11-13-26(14-12-25)31(6)29-17-22(4)20(2)15-27(29)28-16-21(3)23(5)18-30(28)31/h7-18H,1-6H3.
What are the key properties of 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene?
2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene has a molecular weight of 402.58 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene is sourced from PubChem (CID 159906314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).