4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol

C46H44O2 — CID 123523124

IUPAC4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
SMILESCCCCCCCCC1(C)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C46H44O2/c1-3-4-5-6-7-8-29-46(2)44-30-38(36-13-9-32(10-14-36)34-17-23-40(47)24-18-34)21-27-42(44)43-28-22-39(31-45(43)46)37-15-11-33(12-16-37)35-19-25-41(48)26-20-35/h9-28,30-31,47-48H,3-8,29H2,1-2H3
InChIKeyJGVKCYDGVMFTFV-UHFFFAOYSA-N
MW628.86 g/mol
LogP12.80
Rot. Bonds11

About 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol

4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol (PubChem CID 123523124) has the molecular formula C46H44O2 and a molecular weight of 628.86 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
PubChem CID123523124
Molecular FormulaC46H44O2
Molecular Weight628.86 g/mol
Exact Mass628.33
IUPAC Name4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
SMILESCCCCCCCCC1(C)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C46H44O2/c1-3-4-5-6-7-8-29-46(2)44-30-38(36-13-9-32(10-14-36)34-17-23-40(47)24-18-34)21-27-42(44)43-28-22-39(31-45(43)46)37-15-11-33(12-16-37)35-19-25-41(48)26-20-35/h9-28,30-31,47-48H,3-8,29H2,1-2H3
InChIKeyJGVKCYDGVMFTFV-UHFFFAOYSA-N
XLogP12.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 512.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol with MolForge

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Related Compounds

4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
2-(4-bromophenyl)-9-methyl-9-octylfluorene
CID 134581594
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol
CID 126501924
4-[9-methyl-7-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]-9-octylfluoren-2-yl]-2-(4-methylphenyl)-6-phenylpyrimidine
CID 123990852
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol (CID 123523124) is 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol is CCCCCCCCC1(C)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21.
What is the InChIKey of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol?
The InChIKey is JGVKCYDGVMFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44O2/c1-3-4-5-6-7-8-29-46(2)44-30-38(36-13-9-32(10-14-36)34-17-23-40(47)24-18-34)21-27-42(44)43-28-22-39(31-45(43)46)37-15-11-33(12-16-37)35-19-25-41(48)26-20-35/h9-28,30-31,47-48H,3-8,29H2,1-2H3.
What are the key properties of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol?
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol has a molecular weight of 628.86 g/mol, XLogP of 12.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 123523124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).