4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol

C62H74O — CID 102433647

IUPAC4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C62H74O/c1-5-9-13-19-39-61(40-20-14-10-6-2)57-24-18-17-23-53(57)54-37-32-50(44-58(54)61)51-33-38-56-55-36-31-49(48-27-25-46(26-28-48)47-29-34-52(63)35-30-47)43-59(55)62(60(56)45-51,41-21-15-11-7-3)42-22-16-12-8-4/h17-18,23-38,43-45,63H,5-16,19-22,39-42H2,1-4H3
InChIKeyHECIZCQNIWDJNN-UHFFFAOYSA-N
MW835.27 g/mol
LogP18.81
Rot. Bonds23

About 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol

4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol (PubChem CID 102433647) has the molecular formula C62H74O and a molecular weight of 835.27 g/mol. Its IUPAC name is 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
PubChem CID102433647
Molecular FormulaC62H74O
Molecular Weight835.27 g/mol
Exact Mass834.57
IUPAC Name4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C62H74O/c1-5-9-13-19-39-61(40-20-14-10-6-2)57-24-18-17-23-53(57)54-37-32-50(44-58(54)61)51-33-38-56-55-36-31-49(48-27-25-46(26-28-48)47-29-34-52(63)35-30-47)43-59(55)62(60(56)45-51,41-21-15-11-7-3)42-22-16-12-8-4/h17-18,23-38,43-45,63H,5-16,19-22,39-42H2,1-4H3
InChIKeyHECIZCQNIWDJNN-UHFFFAOYSA-N
XLogP18.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.27
LogP ≤ 518.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
4-(9,9-dihexylfluoren-1-yl)phenol
CID 174851586
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol (CID 102433647) is 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc21.
What is the InChIKey of 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol?
The InChIKey is HECIZCQNIWDJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H74O/c1-5-9-13-19-39-61(40-20-14-10-6-2)57-24-18-17-23-53(57)54-37-32-50(44-58(54)61)51-33-38-56-55-36-31-49(48-27-25-46(26-28-48)47-29-34-52(63)35-30-47)43-59(55)62(60(56)45-51,41-21-15-11-7-3)42-22-16-12-8-4/h17-18,23-38,43-45,63H,5-16,19-22,39-42H2,1-4H3.
What are the key properties of 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol?
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol has a molecular weight of 835.27 g/mol, XLogP of 18.81, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 102433647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).