4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole

C89H58N8O — CID 161273644

IUPAC4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1
InChIInChI=1S/C48H34N4.C41H24N4O/c1-48(2)41-24-13-12-23-37(41)38-29-40-39-28-34(31-15-6-3-7-16-31)25-26-43(39)52(44(40)30-42(38)48)36-22-14-21-35(27-36)47-50-45(32-17-8-4-9-18-32)49-46(51-47)33-19-10-5-11-20-33;42-25-26-17-19-28(20-18-26)36-24-35(27-9-2-1-3-10-27)43-41(44-36)29-11-8-12-30(21-29)45-37-15-6-4-13-31(37)33-23-40-34(22-38(33)45)32-14-5-7-16-39(32)46-40/h3-30H,1-2H3;1-24H
InChIKeyVEDPPULSGQZUCT-UHFFFAOYSA-N
MW1255.50 g/mol
LogP22.29
Rot. Bonds9

About 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole

4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole (PubChem CID 161273644) has the molecular formula C89H58N8O and a molecular weight of 1255.50 g/mol. Its IUPAC name is 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
PubChem CID161273644
Molecular FormulaC89H58N8O
Molecular Weight1255.50 g/mol
Exact Mass1254.47
IUPAC Name4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1
InChIInChI=1S/C48H34N4.C41H24N4O/c1-48(2)41-24-13-12-23-37(41)38-29-40-39-28-34(31-15-6-3-7-16-31)25-26-43(39)52(44(40)30-42(38)48)36-22-14-21-35(27-36)47-50-45(32-17-8-4-9-18-32)49-46(51-47)33-19-10-5-11-20-33;42-25-26-17-19-28(20-18-26)36-24-35(27-9-2-1-3-10-27)43-41(44-36)29-11-8-12-30(21-29)45-37-15-6-4-13-31(37)33-23-40-34(22-38(33)45)32-14-5-7-16-39(32)46-40/h3-30H,1-2H3;1-24H
InChIKeyVEDPPULSGQZUCT-UHFFFAOYSA-N
XLogP22.29
TPSA111.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.50
LogP ≤ 522.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole with MolForge

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Related Compounds

23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 161294064
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158381468
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158509245
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223360
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzonitrile
CID 129225677
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459492
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223524
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 160711952

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The IUPAC name of 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole (CID 161273644) is 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)n2)cc1.
What is the InChIKey of 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
The InChIKey is VEDPPULSGQZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4.C41H24N4O/c1-48(2)41-24-13-12-23-37(41)38-29-40-39-28-34(31-15-6-3-7-16-31)25-26-43(39)52(44(40)30-42(38)48)36-22-14-21-35(27-36)47-50-45(32-17-8-4-9-18-32)49-46(51-47)33-19-10-5-11-20-33;42-25-26-17-19-28(20-18-26)36-24-35(27-9-2-1-3-10-27)43-41(44-36)29-11-8-12-30(21-29)45-37-15-6-4-13-31(37)33-23-40-34(22-38(33)45)32-14-5-7-16-39(32)46-40/h3-30H,1-2H3;1-24H.
What are the key properties of 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole?
4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole has a molecular weight of 1255.50 g/mol, XLogP of 22.29, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 161273644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).