2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene

C61H66O — CID 130409824

IUPAC2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C61H66O/c1-4-6-8-10-12-17-41-61(42-18-13-11-9-7-5-2)59-43-54(52-29-25-49(26-30-52)48-23-21-46(3)22-24-48)35-39-57(59)58-40-36-55(44-60(58)61)53-31-27-50(28-32-53)51-33-37-56(38-34-51)62-45-47-19-15-14-16-20-47/h14-16,19-40,43-44H,4-13,17-18,41-42,45H2,1-3H3
InChIKeyLFRVWZRDOOAZRN-UHFFFAOYSA-N
MW815.20 g/mol
LogP18.01
Rot. Bonds21

About 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene

2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene (PubChem CID 130409824) has the molecular formula C61H66O and a molecular weight of 815.20 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
PubChem CID130409824
Molecular FormulaC61H66O
Molecular Weight815.20 g/mol
Exact Mass814.51
IUPAC Name2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C61H66O/c1-4-6-8-10-12-17-41-61(42-18-13-11-9-7-5-2)59-43-54(52-29-25-49(26-30-52)48-23-21-46(3)22-24-48)35-39-57(59)58-40-36-55(44-60(58)61)53-31-27-50(28-32-53)51-33-37-56(38-34-51)62-45-47-19-15-14-16-20-47/h14-16,19-40,43-44H,4-13,17-18,41-42,45H2,1-3H3
InChIKeyLFRVWZRDOOAZRN-UHFFFAOYSA-N
XLogP18.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.20
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
2,7-bis(4-methylphenyl)-9,9-dioctylfluorene;1,4-dimethyl-2,5-dioctoxybenzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158441043
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-[9,9-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene?
The IUPAC name of 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene (CID 130409824) is 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene?
The canonical SMILES for 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene?
The InChIKey is LFRVWZRDOOAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66O/c1-4-6-8-10-12-17-41-61(42-18-13-11-9-7-5-2)59-43-54(52-29-25-49(26-30-52)48-23-21-46(3)22-24-48)35-39-57(59)58-40-36-55(44-60(58)61)53-31-27-50(28-32-53)51-33-37-56(38-34-51)62-45-47-19-15-14-16-20-47/h14-16,19-40,43-44H,4-13,17-18,41-42,45H2,1-3H3.
What are the key properties of 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene?
2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene has a molecular weight of 815.20 g/mol, XLogP of 18.01, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene is sourced from PubChem (CID 130409824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).