4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine

C140H85N7O3 — CID 158617039

IUPAC4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C49H30N2O.C48H29N3O.C43H26N2O/c1-3-13-32(14-4-1)43-30-44(33-15-5-2-6-16-33)51-48(50-43)34-25-23-31(24-26-34)35-27-28-42-39(29-35)47-46(38-19-9-12-22-45(38)52-47)49(42)40-20-10-7-17-36(40)37-18-8-11-21-41(37)49;1-3-14-31(15-4-1)45-49-46(32-16-5-2-6-17-32)51-47(50-45)33-28-26-30(27-29-33)34-21-13-24-40-42(34)44-43(37-20-9-12-25-41(37)52-44)48(40)38-22-10-7-18-35(38)36-19-8-11-23-39(36)48;1-3-13-27(14-4-1)37-26-38(28-15-5-2-6-16-28)45-42(44-37)29-23-24-32-36(25-29)43(40-33-19-9-12-22-39(33)46-41(32)40)34-20-10-7-17-30(34)31-18-8-11-21-35(31)43/h1-30H;1-29H;1-26H
InChIKeyHXNCVQQNZVPQBV-UHFFFAOYSA-N
MW1913.27 g/mol
LogP34.43
Rot. Bonds11

About 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine

4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine (PubChem CID 158617039) has the molecular formula C140H85N7O3 and a molecular weight of 1913.27 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
PubChem CID158617039
Molecular FormulaC140H85N7O3
Molecular Weight1913.27 g/mol
Exact Mass1911.67
IUPAC Name4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C49H30N2O.C48H29N3O.C43H26N2O/c1-3-13-32(14-4-1)43-30-44(33-15-5-2-6-16-33)51-48(50-43)34-25-23-31(24-26-34)35-27-28-42-39(29-35)47-46(38-19-9-12-22-45(38)52-47)49(42)40-20-10-7-17-36(40)37-18-8-11-21-41(37)49;1-3-14-31(15-4-1)45-49-46(32-16-5-2-6-17-32)51-47(50-45)33-28-26-30(27-29-33)34-21-13-24-40-42(34)44-43(37-20-9-12-25-41(37)52-44)48(40)38-22-10-7-18-35(38)36-19-8-11-23-39(36)48;1-3-13-27(14-4-1)37-26-38(28-15-5-2-6-16-28)45-42(44-37)29-23-24-32-36(25-29)43(40-33-19-9-12-22-39(33)46-41(32)40)34-20-10-7-17-30(34)31-18-8-11-21-35(31)43/h1-30H;1-29H;1-26H
InChIKeyHXNCVQQNZVPQBV-UHFFFAOYSA-N
XLogP34.43
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001913.27
LogP ≤ 534.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine with MolForge

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
CID 134529155
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-yl-1,3,5-triazine
CID 162101034
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylphenyl)-1,3,5-triazine
CID 159078190
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1-yl-1,3,5-triazine
CID 158895403
2,4-dipyridin-3-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-yl-1,3,5-triazine;2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyridine;2-pyridin-2-yl-4-pyridin-3-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-yl-1,3,5-triazine
CID 159591298
2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
CID 155048189
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylpyrimidine
CID 161342910
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 159409707
2,4-diphenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)pyrimidine
CID 129264561
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine
CID 134529254
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573670
1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline
CID 154619109

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine?
The IUPAC name of 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine (CID 158617039) is 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4oc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine?
The InChIKey is HXNCVQQNZVPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O.C48H29N3O.C43H26N2O/c1-3-13-32(14-4-1)43-30-44(33-15-5-2-6-16-33)51-48(50-43)34-25-23-31(24-26-34)35-27-28-42-39(29-35)47-46(38-19-9-12-22-45(38)52-47)49(42)40-20-10-7-17-36(40)37-18-8-11-21-41(37)49;1-3-14-31(15-4-1)45-49-46(32-16-5-2-6-17-32)51-47(50-45)33-28-26-30(27-29-33)34-21-13-24-40-42(34)44-43(37-20-9-12-25-41(37)52-44)48(40)38-22-10-7-18-35(38)36-19-8-11-23-39(36)48;1-3-13-27(14-4-1)37-26-38(28-15-5-2-6-16-28)45-42(44-37)29-23-24-32-36(25-29)43(40-33-19-9-12-22-39(33)46-41(32)40)34-20-10-7-17-30(34)31-18-8-11-21-35(31)43/h1-30H;1-29H;1-26H.
What are the key properties of 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine?
4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine has a molecular weight of 1913.27 g/mol, XLogP of 34.43, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine is sourced from PubChem (CID 158617039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).