N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline

C103H94N4O4 — CID 118311463

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C103H94N4O4/c1(11-27-77-41-55-91(56-42-77)106(89-37-21-9-22-38-89)95-63-49-81(50-64-95)101-108-71-72-109-101)3-25-69-103(70-26-4-2-12-28-78-43-57-92(58-44-78)107(90-39-23-10-24-40-90)96-65-51-82(52-66-96)102-110-73-74-111-102)99-75-83(79-45-59-93(60-46-79)104(85-29-13-5-14-30-85)86-31-15-6-16-32-86)53-67-97(99)98-68-54-84(76-100(98)103)80-47-61-94(62-48-80)105(87-33-17-7-18-34-87)88-35-19-8-20-36-88/h5-10,13-24,29-68,75-76,101-102H,1-4,11-12,25-28,69-74H2
InChIKeyLULNTEDXFIGLGG-UHFFFAOYSA-N
MW1451.91 g/mol
LogP27.64
Rot. Bonds30

About N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline

N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline (PubChem CID 118311463) has the molecular formula C103H94N4O4 and a molecular weight of 1451.91 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline
PubChem CID118311463
Molecular FormulaC103H94N4O4
Molecular Weight1451.91 g/mol
Exact Mass1450.73
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C103H94N4O4/c1(11-27-77-41-55-91(56-42-77)106(89-37-21-9-22-38-89)95-63-49-81(50-64-95)101-108-71-72-109-101)3-25-69-103(70-26-4-2-12-28-78-43-57-92(58-44-78)107(90-39-23-10-24-40-90)96-65-51-82(52-66-96)102-110-73-74-111-102)99-75-83(79-45-59-93(60-46-79)104(85-29-13-5-14-30-85)86-31-15-6-16-32-86)53-67-97(99)98-68-54-84(76-100(98)103)80-47-61-94(62-48-80)105(87-33-17-7-18-34-87)88-35-19-8-20-36-88/h5-10,13-24,29-68,75-76,101-102H,1-4,11-12,25-28,69-74H2
InChIKeyLULNTEDXFIGLGG-UHFFFAOYSA-N
XLogP27.64
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001451.91
LogP ≤ 527.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline with MolForge

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Related Compounds

9,9-bis[4-[3-(1,3-dioxolan-2-yl)phenyl]butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58028489
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
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-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 57384197
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline (CID 118311463) is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)(CCCCCCc3ccc(N(c5ccccc5)c5ccc(C6OCCO6)cc5)cc3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline?
The InChIKey is LULNTEDXFIGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H94N4O4/c1(11-27-77-41-55-91(56-42-77)106(89-37-21-9-22-38-89)95-63-49-81(50-64-95)101-108-71-72-109-101)3-25-69-103(70-26-4-2-12-28-78-43-57-92(58-44-78)107(90-39-23-10-24-40-90)96-65-51-82(52-66-96)102-110-73-74-111-102)99-75-83(79-45-59-93(60-46-79)104(85-29-13-5-14-30-85)86-31-15-6-16-32-86)53-67-97(99)98-68-54-84(76-100(98)103)80-47-61-94(62-48-80)105(87-33-17-7-18-34-87)88-35-19-8-20-36-88/h5-10,13-24,29-68,75-76,101-102H,1-4,11-12,25-28,69-74H2.
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline?
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline has a molecular weight of 1451.91 g/mol, XLogP of 27.64, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-[6-[9-[6-[4-(N-[4-(1,3-dioxolan-2-yl)phenyl]anilino)phenyl]hexyl]-2,7-bis[4-(N-phenylanilino)phenyl]fluoren-9-yl]hexyl]-N-phenylaniline is sourced from PubChem (CID 118311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).