9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene

C38H44O — CID 102433644

IUPAC9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OC)cc4)cc3)cc21
InChIInChI=1S/C38H44O/c1-4-6-8-12-26-38(27-13-9-7-5-2)36-15-11-10-14-34(36)35-25-22-32(28-37(35)38)31-18-16-29(17-19-31)30-20-23-33(39-3)24-21-30/h10-11,14-25,28H,4-9,12-13,26-27H2,1-3H3
InChIKeyLCAMSONIWPXFIN-UHFFFAOYSA-N
MW516.77 g/mol
LogP11.24
Rot. Bonds13

About 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene

9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene (PubChem CID 102433644) has the molecular formula C38H44O and a molecular weight of 516.77 g/mol. Its IUPAC name is 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
PubChem CID102433644
Molecular FormulaC38H44O
Molecular Weight516.77 g/mol
Exact Mass516.34
IUPAC Name9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OC)cc4)cc3)cc21
InChIInChI=1S/C38H44O/c1-4-6-8-12-26-38(27-13-9-7-5-2)36-15-11-10-14-34(36)35-25-22-32(28-37(35)38)31-18-16-29(17-19-31)30-20-23-33(39-3)24-21-30/h10-11,14-25,28H,4-9,12-13,26-27H2,1-3H3
InChIKeyLCAMSONIWPXFIN-UHFFFAOYSA-N
XLogP11.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
CID 101438381
CID 101438381
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
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
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-[ethyl(dimethyl)azaniumyl]propyl]fluoren-9-yl]propyl-ethyl-dimethylazanium
CID 101423085
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-[9,9-dihexyl-7-[5-(4-methoxyphenyl)thiophen-2-yl]fluoren-2-yl]-5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene
CID 137380526

Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene?
The IUPAC name of 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene (CID 102433644) is 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene.
What is the SMILES notation for 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene?
The canonical SMILES for 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OC)cc4)cc3)cc21.
What is the InChIKey of 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene?
The InChIKey is LCAMSONIWPXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O/c1-4-6-8-12-26-38(27-13-9-7-5-2)36-15-11-10-14-34(36)35-25-22-32(28-37(35)38)31-18-16-29(17-19-31)30-20-23-33(39-3)24-21-30/h10-11,14-25,28H,4-9,12-13,26-27H2,1-3H3.
What are the key properties of 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene?
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene has a molecular weight of 516.77 g/mol, XLogP of 11.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene is sourced from PubChem (CID 102433644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).