16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C64H39N3O — CID 176758817

IUPAC16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc7c8cccc9c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10n(c67)c98)c5)c4)c3)n2)cc1
InChIInChI=1S/C64H39N3O/c1-3-15-40(16-4-1)56-39-57(41-17-5-2-6-18-41)66-64(65-56)48-24-11-22-45(37-48)43-20-9-19-42(35-43)44-21-10-23-46(36-44)50-27-12-29-53-54-30-13-28-52-51-34-33-47(38-58(51)67(62(50)53)63(52)54)49-26-14-32-60-61(49)55-25-7-8-31-59(55)68-60/h1-39H
InChIKeyWLSKPVYGPFNSTE-UHFFFAOYSA-N
MW866.04 g/mol
LogP17.20
Rot. Bonds7

About 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 176758817) has the molecular formula C64H39N3O and a molecular weight of 866.04 g/mol. Its IUPAC name is 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
PubChem CID176758817
Molecular FormulaC64H39N3O
Molecular Weight866.04 g/mol
Exact Mass865.31
IUPAC Name16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc7c8cccc9c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10n(c67)c98)c5)c4)c3)n2)cc1
InChIInChI=1S/C64H39N3O/c1-3-15-40(16-4-1)56-39-57(41-17-5-2-6-18-41)66-64(65-56)48-24-11-22-45(37-48)43-20-9-19-42(35-43)44-21-10-23-46(36-44)50-27-12-29-53-54-30-13-28-52-51-34-33-47(38-58(51)67(62(50)53)63(52)54)49-26-14-32-60-61(49)55-25-7-8-31-59(55)68-60/h1-39H
InChIKeyWLSKPVYGPFNSTE-UHFFFAOYSA-N
XLogP17.20
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.04
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene with MolForge

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Related Compounds

4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
3-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758725
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
17-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757236
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The IUPAC name of 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 176758817) is 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.
What is the SMILES notation for 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The canonical SMILES for 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc7c8cccc9c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10n(c67)c98)c5)c4)c3)n2)cc1.
What is the InChIKey of 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The InChIKey is WLSKPVYGPFNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3O/c1-3-15-40(16-4-1)56-39-57(41-17-5-2-6-18-41)66-64(65-56)48-24-11-22-45(37-48)43-20-9-19-42(35-43)44-21-10-23-46(36-44)50-27-12-29-53-54-30-13-28-52-51-34-33-47(38-58(51)67(62(50)53)63(52)54)49-26-14-32-60-61(49)55-25-7-8-31-59(55)68-60/h1-39H.
What are the key properties of 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 866.04 g/mol, XLogP of 17.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-1-yl-3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 176758817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).