6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine

C58H42N2O2 — CID 166902541

IUPAC6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc4oc5c(C6C=C(c7ccc8c(c7)oc7ccccc78)NC(c7ccccc7)=N6)cccc5c4c2)ccc1C3(C)C
InChIInChI=1S/C58H42N2O2/c1-57(2)46-19-10-8-15-37(46)43-30-49-44(31-48(43)57)42-27-34(22-25-47(42)58(49,3)4)35-23-26-53-45(28-35)40-17-12-18-41(55(40)62-53)51-32-50(59-56(60-51)33-13-6-5-7-14-33)36-21-24-39-38-16-9-11-20-52(38)61-54(39)29-36/h5-32,51H,1-4H3,(H,59,60)
InChIKeyJIXCYRWFXSVGMZ-UHFFFAOYSA-N
MW798.99 g/mol
LogP14.90
Rot. Bonds4

About 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine

6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine (PubChem CID 166902541) has the molecular formula C58H42N2O2 and a molecular weight of 798.99 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine
PubChem CID166902541
Molecular FormulaC58H42N2O2
Molecular Weight798.99 g/mol
Exact Mass798.32
IUPAC Name6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc4oc5c(C6C=C(c7ccc8c(c7)oc7ccccc78)NC(c7ccccc7)=N6)cccc5c4c2)ccc1C3(C)C
InChIInChI=1S/C58H42N2O2/c1-57(2)46-19-10-8-15-37(46)43-30-49-44(31-48(43)57)42-27-34(22-25-47(42)58(49,3)4)35-23-26-53-45(28-35)40-17-12-18-41(55(40)62-53)51-32-50(59-56(60-51)33-13-6-5-7-14-33)36-21-24-39-38-16-9-11-20-52(38)61-54(39)29-36/h5-32,51H,1-4H3,(H,59,60)
InChIKeyJIXCYRWFXSVGMZ-UHFFFAOYSA-N
XLogP14.90
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 514.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
12,22-bis(9,9-dimethylfluoren-3-yl)-15,15-dimethyl-10,19-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 146228025
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-dibenzofuran-4-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602477
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine?
The IUPAC name of 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine (CID 166902541) is 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine.
What is the SMILES notation for 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine?
The canonical SMILES for 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc4oc5c(C6C=C(c7ccc8c(c7)oc7ccccc78)NC(c7ccccc7)=N6)cccc5c4c2)ccc1C3(C)C.
What is the InChIKey of 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine?
The InChIKey is JIXCYRWFXSVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O2/c1-57(2)46-19-10-8-15-37(46)43-30-49-44(31-48(43)57)42-27-34(22-25-47(42)58(49,3)4)35-23-26-53-45(28-35)40-17-12-18-41(55(40)62-53)51-32-50(59-56(60-51)33-13-6-5-7-14-33)36-21-24-39-38-16-9-11-20-52(38)61-54(39)29-36/h5-32,51H,1-4H3,(H,59,60).
What are the key properties of 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine?
6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine has a molecular weight of 798.99 g/mol, XLogP of 14.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine is sourced from PubChem (CID 166902541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).