6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile

C62H60N4O — CID 174078954

IUPAC6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile
SMILESC[C@@H]1CC2C[C@H](C)CC(c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(C89CC(C[C@H](C)C8)C[C@H](C)C9)cc7)cc6)nc(-c6cccc7c6oc6ccc(C#N)cc67)n5)cc4)cc3)(C2)C1
InChIInChI=1S/C62H60N4O/c1-38-26-43-27-39(2)32-61(31-38,35-43)51-21-17-47(18-22-51)45-9-13-49(14-10-45)58-64-59(66-60(65-58)54-7-5-6-53-55-30-42(37-63)8-25-56(55)67-57(53)54)50-15-11-46(12-16-50)48-19-23-52(24-20-48)62-33-40(3)28-44(36-62)29-41(4)34-62/h5-25,30,38-41,43-44H,26-29,31-36H2,1-4H3/t38-,39-,40-,41+,43?,44?,61?,62?/m0/s1
InChIKeyLHXFMCFRHVGBAK-GPJOUDLBSA-N
MW877.19 g/mol
LogP16.19
Rot. Bonds7

About 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile

6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile (PubChem CID 174078954) has the molecular formula C62H60N4O and a molecular weight of 877.19 g/mol. Its IUPAC name is 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile
PubChem CID174078954
Molecular FormulaC62H60N4O
Molecular Weight877.19 g/mol
Exact Mass876.48
IUPAC Name6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile
SMILESC[C@@H]1CC2C[C@H](C)CC(c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(C89CC(C[C@H](C)C8)C[C@H](C)C9)cc7)cc6)nc(-c6cccc7c6oc6ccc(C#N)cc67)n5)cc4)cc3)(C2)C1
InChIInChI=1S/C62H60N4O/c1-38-26-43-27-39(2)32-61(31-38,35-43)51-21-17-47(18-22-51)45-9-13-49(14-10-45)58-64-59(66-60(65-58)54-7-5-6-53-55-30-42(37-63)8-25-56(55)67-57(53)54)50-15-11-46(12-16-50)48-19-23-52(24-20-48)62-33-40(3)28-44(36-62)29-41(4)34-62/h5-25,30,38-41,43-44H,26-29,31-36H2,1-4H3/t38-,39-,40-,41+,43?,44?,61?,62?/m0/s1
InChIKeyLHXFMCFRHVGBAK-GPJOUDLBSA-N
XLogP16.19
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.19
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile with MolForge

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Related Compounds

4-[3-[4-[6-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174077668
8-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-carbonitrile
CID 174078764
9-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole-3-carbonitrile
CID 168808359
7-[4-[4-[2-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-carbonitrile
CID 174078140
8-[4-[4-[2-[4-(1-adamantyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-carbonitrile
CID 168808257
4-[4-[4,6-bis[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174078148
8-[4-[4,6-bis[4-(1-adamantyl)phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-carbonitrile
CID 168808020
4-[4-[8-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenanthren-3-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 174078676
4-[4-[3-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174078669
4-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168808589
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
3-[4-[4-[2-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-phenylphenyl]benzonitrile
CID 174078909

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile?
The IUPAC name of 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile (CID 174078954) is 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile is C[C@@H]1CC2C[C@H](C)CC(c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(C89CC(C[C@H](C)C8)C[C@H](C)C9)cc7)cc6)nc(-c6cccc7c6oc6ccc(C#N)cc67)n5)cc4)cc3)(C2)C1.
What is the InChIKey of 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile?
The InChIKey is LHXFMCFRHVGBAK-GPJOUDLBSA-N. The full InChI is InChI=1S/C62H60N4O/c1-38-26-43-27-39(2)32-61(31-38,35-43)51-21-17-47(18-22-51)45-9-13-49(14-10-45)58-64-59(66-60(65-58)54-7-5-6-53-55-30-42(37-63)8-25-56(55)67-57(53)54)50-15-11-46(12-16-50)48-19-23-52(24-20-48)62-33-40(3)28-44(36-62)29-41(4)34-62/h5-25,30,38-41,43-44H,26-29,31-36H2,1-4H3/t38-,39-,40-,41+,43?,44?,61?,62?/m0/s1.
What are the key properties of 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile?
6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile has a molecular weight of 877.19 g/mol, XLogP of 16.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-[4-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-4-[4-[4-[(3S,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 174078954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).