9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine

C72H43F8N — CID 167161010

IUPAC9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(F)c(F)c(F)c3F)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccc(C=C)cc4)(c4cc(F)c(F)c(F)c4F)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C72H43F8N/c1-3-42-24-28-48(29-25-42)71(61-40-63(73)67(77)69(79)65(61)75)57-22-10-8-20-53(57)55-34-32-51(38-59(55)71)81(50-19-13-18-47(37-50)46-17-12-16-45(36-46)44-14-6-5-7-15-44)52-33-35-56-54-21-9-11-23-58(54)72(60(56)39-52,49-30-26-43(4-2)27-31-49)62-41-64(74)68(78)70(80)66(62)76/h3-41H,1-2H2
InChIKeyQYPQMEUNZDAIKZ-UHFFFAOYSA-N
MW1074.13 g/mol
LogP19.62
Rot. Bonds11

About 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine

9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine (PubChem CID 167161010) has the molecular formula C72H43F8N and a molecular weight of 1074.13 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine
PubChem CID167161010
Molecular FormulaC72H43F8N
Molecular Weight1074.13 g/mol
Exact Mass1073.33
IUPAC Name9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(F)c(F)c(F)c3F)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccc(C=C)cc4)(c4cc(F)c(F)c(F)c4F)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C72H43F8N/c1-3-42-24-28-48(29-25-42)71(61-40-63(73)67(77)69(79)65(61)75)57-22-10-8-20-53(57)55-34-32-51(38-59(55)71)81(50-19-13-18-47(37-50)46-17-12-16-45(36-46)44-14-6-5-7-15-44)52-33-35-56-54-21-9-11-23-58(54)72(60(56)39-52,49-30-26-43(4-2)27-31-49)62-41-64(74)68(78)70(80)66(62)76/h3-41H,1-2H2
InChIKeyQYPQMEUNZDAIKZ-UHFFFAOYSA-N
XLogP19.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms81
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.13
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine?
The IUPAC name of 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine (CID 167161010) is 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine.
What is the SMILES notation for 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine?
The canonical SMILES for 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine is C=Cc1ccc(C2(c3cc(F)c(F)c(F)c3F)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4ccc5c(c4)C(c4ccc(C=C)cc4)(c4cc(F)c(F)c(F)c4F)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine?
The InChIKey is QYPQMEUNZDAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43F8N/c1-3-42-24-28-48(29-25-42)71(61-40-63(73)67(77)69(79)65(61)75)57-22-10-8-20-53(57)55-34-32-51(38-59(55)71)81(50-19-13-18-47(37-50)46-17-12-16-45(36-46)44-14-6-5-7-15-44)52-33-35-56-54-21-9-11-23-58(54)72(60(56)39-52,49-30-26-43(4-2)27-31-49)62-41-64(74)68(78)70(80)66(62)76/h3-41H,1-2H2.
What are the key properties of 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine?
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine has a molecular weight of 1074.13 g/mol, XLogP of 19.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-yl]-N-[3-(3-phenylphenyl)phenyl]-9-(2,3,4,5-tetrafluorophenyl)fluoren-2-amine is sourced from PubChem (CID 167161010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).