9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile

C174H107N17O4 — CID 162174559

IUPAC9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc21.N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)nc2)cc1.N#Cc1ccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.N#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C49H32N4O.C45H27N5O.2C40H24N4O/c1-49(2)41-27-30(29-50)17-23-37(41)38-24-22-35(28-42(38)49)36-25-26-40-39-15-9-10-16-43(39)54-45(40)44(36)48-52-46(33-13-7-4-8-14-33)51-47(53-48)34-20-18-32(19-21-34)31-11-5-3-6-12-31;46-27-29-15-17-32(18-16-29)35-23-26-39(47-28-35)38-25-24-37-36-13-7-8-14-40(36)51-42(37)41(38)45-49-43(33-11-5-2-6-12-33)48-44(50-45)34-21-19-31(20-22-34)30-9-3-1-4-10-30;41-25-26-11-9-17-30(23-26)32-21-22-34-33-19-7-8-20-35(33)45-37(34)36(32)40-43-38(28-14-5-2-6-15-28)42-39(44-40)31-18-10-16-29(24-31)27-12-3-1-4-13-27;41-25-26-18-20-28(21-19-26)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-12-5-2-6-13-29)42-39(44-40)31-15-9-14-30(24-31)27-10-3-1-4-11-27/h3-28H,1-2H3;1-26,28H;2*1-24H
InChIKeyZOFICSFMQRNUGY-UHFFFAOYSA-N
MW2499.88 g/mol
LogP43.28
Rot. Bonds21

About 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile

9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile (PubChem CID 162174559) has the molecular formula C174H107N17O4 and a molecular weight of 2499.88 g/mol. Its IUPAC name is 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile
PubChem CID162174559
Molecular FormulaC174H107N17O4
Molecular Weight2499.88 g/mol
Exact Mass2497.87
IUPAC Name9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc21.N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)nc2)cc1.N#Cc1ccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.N#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C49H32N4O.C45H27N5O.2C40H24N4O/c1-49(2)41-27-30(29-50)17-23-37(41)38-24-22-35(28-42(38)49)36-25-26-40-39-15-9-10-16-43(39)54-45(40)44(36)48-52-46(33-13-7-4-8-14-33)51-47(53-48)34-20-18-32(19-21-34)31-11-5-3-6-12-31;46-27-29-15-17-32(18-16-29)35-23-26-39(47-28-35)38-25-24-37-36-13-7-8-14-40(36)51-42(37)41(38)45-49-43(33-11-5-2-6-12-33)48-44(50-45)34-21-19-31(20-22-34)30-9-3-1-4-10-30;41-25-26-11-9-17-30(23-26)32-21-22-34-33-19-7-8-20-35(33)45-37(34)36(32)40-43-38(28-14-5-2-6-15-28)42-39(44-40)31-18-10-16-29(24-31)27-12-3-1-4-13-27;41-25-26-18-20-28(21-19-26)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-12-5-2-6-13-29)42-39(44-40)31-15-9-14-30(24-31)27-10-3-1-4-11-27/h3-28H,1-2H3;1-26,28H;2*1-24H
InChIKeyZOFICSFMQRNUGY-UHFFFAOYSA-N
XLogP43.28
TPSA315.29 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.88
LogP ≤ 543.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile with MolForge

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Related Compounds

3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381434
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381584
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
CID 139381460
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277
4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381615
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381456
2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 158961174
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile (CID 162174559) is 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc21.N#Cc1ccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)nc2)cc1.N#Cc1ccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.N#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile?
The InChIKey is ZOFICSFMQRNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O.C45H27N5O.2C40H24N4O/c1-49(2)41-27-30(29-50)17-23-37(41)38-24-22-35(28-42(38)49)36-25-26-40-39-15-9-10-16-43(39)54-45(40)44(36)48-52-46(33-13-7-4-8-14-33)51-47(53-48)34-20-18-32(19-21-34)31-11-5-3-6-12-31;46-27-29-15-17-32(18-16-29)35-23-26-39(47-28-35)38-25-24-37-36-13-7-8-14-40(36)51-42(37)41(38)45-49-43(33-11-5-2-6-12-33)48-44(50-45)34-21-19-31(20-22-34)30-9-3-1-4-10-30;41-25-26-11-9-17-30(23-26)32-21-22-34-33-19-7-8-20-35(33)45-37(34)36(32)40-43-38(28-14-5-2-6-15-28)42-39(44-40)31-18-10-16-29(24-31)27-12-3-1-4-13-27;41-25-26-18-20-28(21-19-26)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-12-5-2-6-13-29)42-39(44-40)31-15-9-14-30(24-31)27-10-3-1-4-11-27/h3-28H,1-2H3;1-26,28H;2*1-24H.
What are the key properties of 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile?
9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile has a molecular weight of 2499.88 g/mol, XLogP of 43.28, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 162174559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).