2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile

C75H63F6N3O4 — CID 148803438

IUPAC2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile
SMILESCc1cccc(C(C)(C)C(C)(C)Oc2ccc(C3(c4ccc(Oc5cccc(C(C)(C)Oc6ccc(C(c7ccc(Oc8cccc(C(C)(C)C)c8C#N)cc7)(C(F)(F)F)C(F)(F)F)cc6)c5C#N)cc4)c4ccccc4-c4ccccc43)cc2)c1C#N
InChIInChI=1S/C75H63F6N3O4/c1-47-18-15-24-62(58(47)44-82)69(5,6)71(9,10)88-55-40-30-49(31-41-55)72(64-21-13-11-19-56(64)57-20-12-14-22-65(57)72)48-28-36-52(37-29-48)86-67-27-17-25-63(60(67)46-84)70(7,8)87-54-42-34-51(35-43-54)73(74(76,77)78,75(79,80)81)50-32-38-53(39-33-50)85-66-26-16-23-61(59(66)45-83)68(2,3)4/h11-43H,1-10H3
InChIKeyOOMIRDJYZQWFGD-UHFFFAOYSA-N
MW1184.33 g/mol
LogP19.72
Rot. Bonds15

About 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile

2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile (PubChem CID 148803438) has the molecular formula C75H63F6N3O4 and a molecular weight of 1184.33 g/mol. Its IUPAC name is 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile
PubChem CID148803438
Molecular FormulaC75H63F6N3O4
Molecular Weight1184.33 g/mol
Exact Mass1183.47
IUPAC Name2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile
SMILESCc1cccc(C(C)(C)C(C)(C)Oc2ccc(C3(c4ccc(Oc5cccc(C(C)(C)Oc6ccc(C(c7ccc(Oc8cccc(C(C)(C)C)c8C#N)cc7)(C(F)(F)F)C(F)(F)F)cc6)c5C#N)cc4)c4ccccc4-c4ccccc43)cc2)c1C#N
InChIInChI=1S/C75H63F6N3O4/c1-47-18-15-24-62(58(47)44-82)69(5,6)71(9,10)88-55-40-30-49(31-41-55)72(64-21-13-11-19-56(64)57-20-12-14-22-65(57)72)48-28-36-52(37-29-48)86-67-27-17-25-63(60(67)46-84)70(7,8)87-54-42-34-51(35-43-54)73(74(76,77)78,75(79,80)81)50-32-38-53(39-33-50)85-66-26-16-23-61(59(66)45-83)68(2,3)4/h11-43H,1-10H3
InChIKeyOOMIRDJYZQWFGD-UHFFFAOYSA-N
XLogP19.72
TPSA108.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.33
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile with MolForge

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Related Compounds

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3-(4-Ethenyl-1,1,2,2-tetrafluoro-3-hydroxy-3-methylinden-5-yl)oxy-5-fluorobenzonitrile
CID 146523497
5-(3-Cyano-5-fluorophenoxy)-1,1,2,2-tetrafluoro-3-hydroxy-3-methylindene-4-carbonitrile
CID 146523980
3-((4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-3-methyl-2,3-dihydro-1H-inden-5-yl)oxy)-5-fluorobenzonitrile
CID 146526399
2-[[21-(2,2-Dicyanoethenyl)-6,25-bis[4-(trifluoromethyl)phenyl]-12,19-dioxapentacyclo[18.8.0.02,11.03,8.023,28]octacosa-1(28),2,4,6,8,10,20,22,24,26-decaen-10-yl]methylidene]propanedinitrile
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4-[1-[2-(3,4-Dicyanophenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzene-1,2-dicarbonitrile
CID 102507153
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3-Butoxy-6-[3-fluoro-4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile
CID 20398875
3-Butoxy-6-[2-[2-fluoro-4-(4-propyl-1-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile
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3-Butoxy-6-[2-[3-fluoro-4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile
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CID 20399001

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile?
The IUPAC name of 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile (CID 148803438) is 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile.
What is the SMILES notation for 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile?
The canonical SMILES for 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile is Cc1cccc(C(C)(C)C(C)(C)Oc2ccc(C3(c4ccc(Oc5cccc(C(C)(C)Oc6ccc(C(c7ccc(Oc8cccc(C(C)(C)C)c8C#N)cc7)(C(F)(F)F)C(F)(F)F)cc6)c5C#N)cc4)c4ccccc4-c4ccccc43)cc2)c1C#N.
What is the InChIKey of 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile?
The InChIKey is OOMIRDJYZQWFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63F6N3O4/c1-47-18-15-24-62(58(47)44-82)69(5,6)71(9,10)88-55-40-30-49(31-41-55)72(64-21-13-11-19-56(64)57-20-12-14-22-65(57)72)48-28-36-52(37-29-48)86-67-27-17-25-63(60(67)46-84)70(7,8)87-54-42-34-51(35-43-54)73(74(76,77)78,75(79,80)81)50-32-38-53(39-33-50)85-66-26-16-23-61(59(66)45-83)68(2,3)4/h11-43H,1-10H3.
What are the key properties of 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile?
2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile has a molecular weight of 1184.33 g/mol, XLogP of 19.72, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[9-[4-[3-[2-[4-[2-[4-(3-tert-butyl-2-cyanophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propan-2-yl]-2-cyanophenoxy]phenyl]fluoren-9-yl]phenoxy]-2,3-dimethylbutan-2-yl]-6-methylbenzonitrile is sourced from PubChem (CID 148803438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).