N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine

C81H87NO3 — CID 88989640

IUPACN-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine
SMILESCCC(C)(CC)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(OCCCCCCCCOCC4(C)COC4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(C)(CC)CC)ccc3-4)ccc1-2
InChIInChI=1S/C81H87NO3/c1-8-78(6,9-2)63-38-46-69-71-48-42-66(54-75(71)80(73(69)52-63,59-30-20-16-21-31-59)60-32-22-17-23-33-60)82(65-40-44-68(45-41-65)85-51-29-15-13-12-14-28-50-83-56-77(5)57-84-58-77)67-43-49-72-70-47-39-64(79(7,10-3)11-4)53-74(70)81(76(72)55-67,61-34-24-18-25-35-61)62-36-26-19-27-37-62/h16-27,30-49,52-55H,8-15,28-29,50-51,56-58H2,1-7H3
InChIKeyKXBFGPUFBIIFPC-UHFFFAOYSA-N
MW1122.59 g/mol
LogP20.81
Rot. Bonds25

About N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine

N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine (PubChem CID 88989640) has the molecular formula C81H87NO3 and a molecular weight of 1122.59 g/mol. Its IUPAC name is N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine
PubChem CID88989640
Molecular FormulaC81H87NO3
Molecular Weight1122.59 g/mol
Exact Mass1121.67
IUPAC NameN-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine
SMILESCCC(C)(CC)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(OCCCCCCCCOCC4(C)COC4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(C)(CC)CC)ccc3-4)ccc1-2
InChIInChI=1S/C81H87NO3/c1-8-78(6,9-2)63-38-46-69-71-48-42-66(54-75(71)80(73(69)52-63,59-30-20-16-21-31-59)60-32-22-17-23-33-60)82(65-40-44-68(45-41-65)85-51-29-15-13-12-14-28-50-83-56-77(5)57-84-58-77)67-43-49-72-70-47-39-64(79(7,10-3)11-4)53-74(70)81(76(72)55-67,61-34-24-18-25-35-61)62-36-26-19-27-37-62/h16-27,30-49,52-55H,8-15,28-29,50-51,56-58H2,1-7H3
InChIKeyKXBFGPUFBIIFPC-UHFFFAOYSA-N
XLogP20.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.59
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 157109512
2-N,2-N,7-N,7-N-tetrakis[4-(2-methoxyethoxy)phenyl]-9,9-diphenylfluorene-2,7-diamine
CID 139762391
3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline
CID 59196910
2,7-bis(9H-fluoren-2-yl)-2-N',7-N'-bis[4-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]phenyl]-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 123272809
N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline
CID 159401366
4-[3,6-bis(3,7-dimethyloctoxy)-9,9'-spirobi[fluorene]-2-yl]-N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]-N-phenylaniline
CID 101455783
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine
CID 163844192
N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octoxy]phenyl]-4-phenylanilino)phenyl]phenyl]-2,4-dimethyl-N-(4-phenylphenyl)aniline
CID 59012520
N-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-phenylaniline
CID 163472933
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine (CID 88989640) is N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine is CCC(C)(CC)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(OCCCCCCCCOCC4(C)COC4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(C)(CC)CC)ccc3-4)ccc1-2.
What is the InChIKey of N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine?
The InChIKey is KXBFGPUFBIIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H87NO3/c1-8-78(6,9-2)63-38-46-69-71-48-42-66(54-75(71)80(73(69)52-63,59-30-20-16-21-31-59)60-32-22-17-23-33-60)82(65-40-44-68(45-41-65)85-51-29-15-13-12-14-28-50-83-56-77(5)57-84-58-77)67-43-49-72-70-47-39-64(79(7,10-3)11-4)53-74(70)81(76(72)55-67,61-34-24-18-25-35-61)62-36-26-19-27-37-62/h16-27,30-49,52-55H,8-15,28-29,50-51,56-58H2,1-7H3.
What are the key properties of N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine?
N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine has a molecular weight of 1122.59 g/mol, XLogP of 20.81, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[(3-methyloxetan-3-yl)methoxy]octoxy]phenyl]-7-(3-methylpentan-3-yl)-N-[7-(3-methylpentan-3-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 88989640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).