2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol

C40H43NO — CID 122216855

IUPAC2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol
SMILESCCCCCCC1(CCCCCC)c2cc(-c3cnc4ccccc4c3)ccc2-c2ccc(-c3ccccc3O)cc21
InChIInChI=1S/C40H43NO/c1-3-5-7-13-23-40(24-14-8-6-4-2)36-26-29(32-25-31-15-9-11-17-38(31)41-28-32)19-21-34(36)35-22-20-30(27-37(35)40)33-16-10-12-18-39(33)42/h9-12,15-22,25-28,42H,3-8,13-14,23-24H2,1-2H3
InChIKeyVVSIFONJUNFVHN-UHFFFAOYSA-N
MW553.79 g/mol
LogP11.48
Rot. Bonds12

About 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol

2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol (PubChem CID 122216855) has the molecular formula C40H43NO and a molecular weight of 553.79 g/mol. Its IUPAC name is 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol.

Molecular Properties

Compound Name2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol
PubChem CID122216855
Molecular FormulaC40H43NO
Molecular Weight553.79 g/mol
Exact Mass553.33
IUPAC Name2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol
SMILESCCCCCCC1(CCCCCC)c2cc(-c3cnc4ccccc4c3)ccc2-c2ccc(-c3ccccc3O)cc21
InChIInChI=1S/C40H43NO/c1-3-5-7-13-23-40(24-14-8-6-4-2)36-26-29(32-25-31-15-9-11-17-38(31)41-28-32)19-21-34(36)35-22-20-30(27-37(35)40)33-16-10-12-18-39(33)42/h9-12,15-22,25-28,42H,3-8,13-14,23-24H2,1-2H3
InChIKeyVVSIFONJUNFVHN-UHFFFAOYSA-N
XLogP11.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.79
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
carbanide;2-(9,9-dihexylfluoren-2-yl)-4-methylphenol;titanium(3+)
CID 59270117
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
CID 122395424
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127
2,5-bis(9,9-dioctylfluoren-2-yl)-3,6-dihexylpyrazine
CID 59188383
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol?
The IUPAC name of 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol (CID 122216855) is 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol.
What is the SMILES notation for 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol?
The canonical SMILES for 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol is CCCCCCC1(CCCCCC)c2cc(-c3cnc4ccccc4c3)ccc2-c2ccc(-c3ccccc3O)cc21.
What is the InChIKey of 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol?
The InChIKey is VVSIFONJUNFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43NO/c1-3-5-7-13-23-40(24-14-8-6-4-2)36-26-29(32-25-31-15-9-11-17-38(31)41-28-32)19-21-34(36)35-22-20-30(27-37(35)40)33-16-10-12-18-39(33)42/h9-12,15-22,25-28,42H,3-8,13-14,23-24H2,1-2H3.
What are the key properties of 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol?
2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol has a molecular weight of 553.79 g/mol, XLogP of 11.48, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dihexyl-7-quinolin-3-ylfluoren-2-yl)phenol is sourced from PubChem (CID 122216855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).