N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine

C107H75F5N4O2 — CID 139472575

IUPACN-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(Oc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)=C(F)F
InChIInChI=1S/C107H75F5N4O2/c1-66(103(108)109)117-85-50-32-69(33-51-85)67-24-40-79(41-25-67)113(83-48-54-89-87-20-12-14-22-95(87)106(2,3)97(89)64-83)81-44-28-71(29-45-81)73-36-56-99-91(60-73)93-62-75(38-58-101(93)115(99)77-16-8-6-9-17-77)76-39-59-102-94(63-76)92-61-74(37-57-100(92)116(102)78-18-10-7-11-19-78)72-30-46-82(47-31-72)114(84-49-55-90-88-21-13-15-23-96(88)107(4,5)98(90)65-84)80-42-26-68(27-43-80)70-34-52-86(53-35-70)118-105(112)104(110)111/h6-65H,1-5H3
InChIKeyZBLAMQUFXXNBLI-UHFFFAOYSA-N
MW1543.79 g/mol
LogP30.69
Rot. Bonds17

About N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 139472575) has the molecular formula C107H75F5N4O2 and a molecular weight of 1543.79 g/mol. Its IUPAC name is N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID139472575
Molecular FormulaC107H75F5N4O2
Molecular Weight1543.79 g/mol
Exact Mass1542.58
IUPAC NameN-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(Oc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)=C(F)F
InChIInChI=1S/C107H75F5N4O2/c1-66(103(108)109)117-85-50-32-69(33-51-85)67-24-40-79(41-25-67)113(83-48-54-89-87-20-12-14-22-95(87)106(2,3)97(89)64-83)81-44-28-71(29-45-81)73-36-56-99-91(60-73)93-62-75(38-58-101(93)115(99)77-16-8-6-9-17-77)76-39-59-102-94(63-76)92-61-74(37-57-100(92)116(102)78-18-10-7-11-19-78)72-30-46-82(47-31-72)114(84-49-55-90-88-21-13-15-23-96(88)107(4,5)98(90)65-84)80-42-26-68(27-43-80)70-34-52-86(53-35-70)118-105(112)104(110)111/h6-65H,1-5H3
InChIKeyZBLAMQUFXXNBLI-UHFFFAOYSA-N
XLogP30.69
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001543.79
LogP ≤ 530.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine (CID 139472575) is N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine is CC(Oc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(OC(F)=C(F)F)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)=C(F)F.
What is the InChIKey of N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is ZBLAMQUFXXNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H75F5N4O2/c1-66(103(108)109)117-85-50-32-69(33-51-85)67-24-40-79(41-25-67)113(83-48-54-89-87-20-12-14-22-95(87)106(2,3)97(89)64-83)81-44-28-71(29-45-81)73-36-56-99-91(60-73)93-62-75(38-58-101(93)115(99)77-16-8-6-9-17-77)76-39-59-102-94(63-76)92-61-74(37-57-100(92)116(102)78-18-10-7-11-19-78)72-30-46-82(47-31-72)114(84-49-55-90-88-21-13-15-23-96(88)107(4,5)98(90)65-84)80-42-26-68(27-43-80)70-34-52-86(53-35-70)118-105(112)104(110)111/h6-65H,1-5H3.
What are the key properties of N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1543.79 g/mol, XLogP of 30.69, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 139472575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).