2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine

C78H110N2 — CID 89344519

IUPAC2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C(C)CC)cc3)c3ccc(C(C)(CC)CC)cc3)ccc2-c2ccc(N(c3ccc(C(C)CC)cc3)c3ccc(C(CC)(CCC)C(CC)CC)cc3)cc21
InChIInChI=1S/C78H110N2/c1-14-24-26-28-30-32-55-78(56-33-31-29-27-25-15-2)74-57-70(79(66-42-34-61(35-43-66)59(11)17-4)68-46-38-64(39-47-68)76(13,21-8)22-9)50-52-72(74)73-53-51-71(58-75(73)78)80(67-44-36-62(37-45-67)60(12)18-5)69-48-40-65(41-49-69)77(23-10,54-16-3)63(19-6)20-7/h34-53,57-60,63H,14-33,54-56H2,1-13H3
InChIKeyYSZMIOSDDTZJSQ-UHFFFAOYSA-N
MW1075.75 g/mol
LogP25.38
Rot. Bonds34

About 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine

2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine (PubChem CID 89344519) has the molecular formula C78H110N2 and a molecular weight of 1075.75 g/mol. Its IUPAC name is 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
PubChem CID89344519
Molecular FormulaC78H110N2
Molecular Weight1075.75 g/mol
Exact Mass1074.87
IUPAC Name2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C(C)CC)cc3)c3ccc(C(C)(CC)CC)cc3)ccc2-c2ccc(N(c3ccc(C(C)CC)cc3)c3ccc(C(CC)(CCC)C(CC)CC)cc3)cc21
InChIInChI=1S/C78H110N2/c1-14-24-26-28-30-32-55-78(56-33-31-29-27-25-15-2)74-57-70(79(66-42-34-61(35-43-66)59(11)17-4)68-46-38-64(39-47-68)76(13,21-8)22-9)50-52-72(74)73-53-51-71(58-75(73)78)80(67-44-36-62(37-45-67)60(12)18-5)69-48-40-65(41-49-69)77(23-10,54-16-3)63(19-6)20-7/h34-53,57-60,63H,14-33,54-56H2,1-13H3
InChIKeyYSZMIOSDDTZJSQ-UHFFFAOYSA-N
XLogP25.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.75
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(4-ethyl-3-methylhexan-3-yl)phenyl]-7-N-[4-(2-methylpentan-2-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
CID 143635456
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
7-N-(4-butan-2-yl-7-bicyclo[4.1.0]hept-2-enyl)-2-N-(4-butan-2-ylphenyl)-2-N-[4-(4-ethyl-3-methylhexan-3-yl)phenyl]-7-N-[4-(2-methylbutan-2-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine
CID 143635442
4-butyl-N-[4-[4-(4-butyl-N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]phenyl]-N-[4-[7-(3-methylpentan-3-yl)-9,9-dioctylfluoren-2-yl]phenyl]aniline
CID 89206030
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
N-(4-butan-2-ylphenyl)-3-ethenyl-N-[4-(3-methylhexan-3-yl)phenyl]aniline
CID 89294997
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630042
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine (CID 89344519) is 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C(C)CC)cc3)c3ccc(C(C)(CC)CC)cc3)ccc2-c2ccc(N(c3ccc(C(C)CC)cc3)c3ccc(C(CC)(CCC)C(CC)CC)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is YSZMIOSDDTZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H110N2/c1-14-24-26-28-30-32-55-78(56-33-31-29-27-25-15-2)74-57-70(79(66-42-34-61(35-43-66)59(11)17-4)68-46-38-64(39-47-68)76(13,21-8)22-9)50-52-72(74)73-53-51-71(58-75(73)78)80(67-44-36-62(37-45-67)60(12)18-5)69-48-40-65(41-49-69)77(23-10,54-16-3)63(19-6)20-7/h34-53,57-60,63H,14-33,54-56H2,1-13H3.
What are the key properties of 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine?
2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 1075.75 g/mol, XLogP of 25.38, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(4-butan-2-ylphenyl)-2-N-[4-(3,4-diethylheptan-4-yl)phenyl]-7-N-[4-(3-methylpentan-3-yl)phenyl]-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 89344519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).