N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine

C79H86N2 — CID 144821084

IUPACN-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine
SMILESCCCCCCC1(CCCCC)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(Nc8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)cc7)cc6)cc5)cc4)cc3)cc21
InChIInChI=1S/C79H86N2/c1-5-9-13-21-53-78(52-20-12-8-4)74-26-18-16-24-70(74)72-50-48-68(56-76(72)78)80-66-44-40-64(41-45-66)62-36-32-60(33-37-62)58-28-30-59(31-29-58)61-34-38-63(39-35-61)65-42-46-67(47-43-65)81-69-49-51-73-71-25-17-19-27-75(71)79(77(73)57-69,54-22-14-10-6-2)55-23-15-11-7-3/h16-19,24-51,56-57,80-81H,5-15,20-23,52-55H2,1-4H3
InChIKeySDOWTTBHZPTKTD-UHFFFAOYSA-N
MW1063.57 g/mol
LogP23.87
Rot. Bonds27

About N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine

N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine (PubChem CID 144821084) has the molecular formula C79H86N2 and a molecular weight of 1063.57 g/mol. Its IUPAC name is N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine
PubChem CID144821084
Molecular FormulaC79H86N2
Molecular Weight1063.57 g/mol
Exact Mass1062.68
IUPAC NameN-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine
SMILESCCCCCCC1(CCCCC)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(Nc8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)cc7)cc6)cc5)cc4)cc3)cc21
InChIInChI=1S/C79H86N2/c1-5-9-13-21-53-78(52-20-12-8-4)74-26-18-16-24-70(74)72-50-48-68(56-76(72)78)80-66-44-40-64(41-45-66)62-36-32-60(33-37-62)58-28-30-59(31-29-58)61-34-38-63(39-35-61)65-42-46-67(47-43-65)81-69-49-51-73-71-25-17-19-27-75(71)79(77(73)57-69,54-22-14-10-6-2)55-23-15-11-7-3/h16-19,24-51,56-57,80-81H,5-15,20-23,52-55H2,1-4H3
InChIKeySDOWTTBHZPTKTD-UHFFFAOYSA-N
XLogP23.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.57
LogP ≤ 523.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dihexyl-N-[4-(7-methyltriphenylen-2-yl)phenyl]fluoren-2-amine
CID 58250959
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline
CID 58371037
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-didodecylfluoren-2-yl)amino]terephthalic acid
CID 122396512
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine?
The IUPAC name of N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine (CID 144821084) is N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine is CCCCCCC1(CCCCC)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(Nc8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)cc7)cc6)cc5)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine?
The InChIKey is SDOWTTBHZPTKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H86N2/c1-5-9-13-21-53-78(52-20-12-8-4)74-26-18-16-24-70(74)72-50-48-68(56-76(72)78)80-66-44-40-64(41-45-66)62-36-32-60(33-37-62)58-28-30-59(31-29-58)61-34-38-63(39-35-61)65-42-46-67(47-43-65)81-69-49-51-73-71-25-17-19-27-75(71)79(77(73)57-69,54-22-14-10-6-2)55-23-15-11-7-3/h16-19,24-51,56-57,80-81H,5-15,20-23,52-55H2,1-4H3.
What are the key properties of N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine?
N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine has a molecular weight of 1063.57 g/mol, XLogP of 23.87, 27 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine is sourced from PubChem (CID 144821084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).