2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene

C76H100 — CID 59512955

IUPAC2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C76H100/c1-8-14-20-28-46-74(47-29-21-15-9-2)68-35-27-26-34-62(68)64-42-37-58(53-70(64)74)60-39-44-66-67-45-40-61(56-73(67)76(72(66)55-60,50-32-24-18-12-5)51-33-25-19-13-6)59-38-43-65-63-41-36-57(7)52-69(63)75(71(65)54-59,48-30-22-16-10-3)49-31-23-17-11-4/h26-27,34-45,52-56H,8-25,28-33,46-51H2,1-7H3
InChIKeySCVLCKPPBCJBGF-UHFFFAOYSA-N
MW1013.64 g/mol
LogP23.95
Rot. Bonds32

About 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene

2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene (PubChem CID 59512955) has the molecular formula C76H100 and a molecular weight of 1013.64 g/mol. Its IUPAC name is 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene.

Molecular Properties

Compound Name2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
PubChem CID59512955
Molecular FormulaC76H100
Molecular Weight1013.64 g/mol
Exact Mass1012.78
IUPAC Name2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C76H100/c1-8-14-20-28-46-74(47-29-21-15-9-2)68-35-27-26-34-62(68)64-42-37-58(53-70(64)74)60-39-44-66-67-45-40-61(56-73(67)76(72(66)55-60,50-32-24-18-12-5)51-33-25-19-13-6)59-38-43-65-63-41-36-57(7)52-69(63)75(71(65)54-59,48-30-22-16-10-3)49-31-23-17-11-4/h26-27,34-45,52-56H,8-25,28-33,46-51H2,1-7H3
InChIKeySCVLCKPPBCJBGF-UHFFFAOYSA-N
XLogP23.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.64
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene with MolForge

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Related Compounds

2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
carbanide;2-(9,9-dihexylfluoren-2-yl)-4-methylphenol;titanium(3+)
CID 59270117
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
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene?
The IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene (CID 59512955) is 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene.
What is the SMILES notation for 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene?
The canonical SMILES for 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(C)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene?
The InChIKey is SCVLCKPPBCJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H100/c1-8-14-20-28-46-74(47-29-21-15-9-2)68-35-27-26-34-62(68)64-42-37-58(53-70(64)74)60-39-44-66-67-45-40-61(56-73(67)76(72(66)55-60,50-32-24-18-12-5)51-33-25-19-13-6)59-38-43-65-63-41-36-57(7)52-69(63)75(71(65)54-59,48-30-22-16-10-3)49-31-23-17-11-4/h26-27,34-45,52-56H,8-25,28-33,46-51H2,1-7H3.
What are the key properties of 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene?
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene has a molecular weight of 1013.64 g/mol, XLogP of 23.95, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene is sourced from PubChem (CID 59512955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).