6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine

C75H100N2 — CID 101479425

IUPAC6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCN)(CCCCCCN)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H100N2/c1-5-9-13-25-45-73(46-26-14-10-6-2)67-35-23-21-33-61(67)63-41-37-57(53-69(63)73)59-39-43-65-66-44-40-60(56-72(66)75(71(65)55-59,49-29-17-19-31-51-76)50-30-18-20-32-52-77)58-38-42-64-62-34-22-24-36-68(62)74(70(64)54-58,47-27-15-11-7-3)48-28-16-12-8-4/h21-24,33-44,53-56H,5-20,25-32,45-52,76-77H2,1-4H3
InChIKeyDTCLFGSUCYHASB-UHFFFAOYSA-N
MW1029.64 g/mol
LogP21.52
Rot. Bonds34

About 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine

6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine (PubChem CID 101479425) has the molecular formula C75H100N2 and a molecular weight of 1029.64 g/mol. Its IUPAC name is 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
PubChem CID101479425
Molecular FormulaC75H100N2
Molecular Weight1029.64 g/mol
Exact Mass1028.79
IUPAC Name6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCN)(CCCCCCN)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H100N2/c1-5-9-13-25-45-73(46-26-14-10-6-2)67-35-23-21-33-61(67)63-41-37-57(53-69(63)73)59-39-43-65-66-44-40-60(56-72(66)75(71(65)55-59,49-29-17-19-31-51-76)50-30-18-20-32-52-77)58-38-42-64-62-34-22-24-36-68(62)74(70(64)54-58,47-27-15-11-7-3)48-28-16-12-8-4/h21-24,33-44,53-56H,5-20,25-32,45-52,76-77H2,1-4H3
InChIKeyDTCLFGSUCYHASB-UHFFFAOYSA-N
XLogP21.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.64
LogP ≤ 521.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine with MolForge

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Related Compounds

9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
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
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-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
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
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
9,9-di(docosyl)fluorene
CID 22568526

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine?
The IUPAC name of 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine (CID 101479425) is 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine.
What is the SMILES notation for 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine?
The canonical SMILES for 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCN)(CCCCCCN)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine?
The InChIKey is DTCLFGSUCYHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H100N2/c1-5-9-13-25-45-73(46-26-14-10-6-2)67-35-23-21-33-61(67)63-41-37-57(53-69(63)73)59-39-43-65-66-44-40-60(56-72(66)75(71(65)55-59,49-29-17-19-31-51-76)50-30-18-20-32-52-77)58-38-42-64-62-34-22-24-36-68(62)74(70(64)54-58,47-27-15-11-7-3)48-28-16-12-8-4/h21-24,33-44,53-56H,5-20,25-32,45-52,76-77H2,1-4H3.
What are the key properties of 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine?
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine has a molecular weight of 1029.64 g/mol, XLogP of 21.52, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine is sourced from PubChem (CID 101479425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).