4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene

C38H34 — CID 58986977

IUPAC4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
SMILESCc1cc(-c2cccc3c2-c2ccccc2C3(C)C)c(C)cc1-c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C38H34/c1-23-21-30(26-16-12-20-34-36(26)28-14-8-10-18-32(28)38(34,5)6)24(2)22-29(23)25-15-11-19-33-35(25)27-13-7-9-17-31(27)37(33,3)4/h7-22H,1-6H3
InChIKeyOBVLPIJXXFUQHX-UHFFFAOYSA-N
MW490.69 g/mol
LogP10.25
Rot. Bonds2

About 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene

4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene (PubChem CID 58986977) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
PubChem CID58986977
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
SMILESCc1cc(-c2cccc3c2-c2ccccc2C3(C)C)c(C)cc1-c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C38H34/c1-23-21-30(26-16-12-20-34-36(26)28-14-8-10-18-32(28)38(34,5)6)24(2)22-29(23)25-15-11-19-33-35(25)27-13-7-9-17-31(27)37(33,3)4/h7-22H,1-6H3
InChIKeyOBVLPIJXXFUQHX-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene?
The IUPAC name of 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene (CID 58986977) is 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene?
The canonical SMILES for 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene is Cc1cc(-c2cccc3c2-c2ccccc2C3(C)C)c(C)cc1-c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene?
The InChIKey is OBVLPIJXXFUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-23-21-30(26-16-12-20-34-36(26)28-14-8-10-18-32(28)38(34,5)6)24(2)22-29(23)25-15-11-19-33-35(25)27-13-7-9-17-31(27)37(33,3)4/h7-22H,1-6H3.
What are the key properties of 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene?
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene has a molecular weight of 490.69 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58986977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).