2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile

C120H84BBrN8O2 — CID 157459319

IUPAC2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C#N)cc2)c2ccc4ccccc4c2-3)OC1(C)C.N#Cc1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C57H36N4.C36H30BNO2.C27H18BrN3/c58-37-38-26-30-48(31-27-38)57(47-23-8-3-9-24-47)51-33-29-39-14-10-11-25-49(39)53(51)50-32-28-45(36-52(50)57)43-20-12-19-42(34-43)44-21-13-22-46(35-44)56-60-54(40-15-4-1-5-16-40)59-55(61-56)41-17-6-2-7-18-41;1-34(2)35(3,4)40-37(39-34)28-19-20-30-32(22-28)36(26-11-6-5-7-12-26,27-17-14-24(23-38)15-18-27)31-21-16-25-10-8-9-13-29(25)33(30)31;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-36H;5-22H,1-4H3;1-18H
InChIKeyBTSVKDOPVOXYJM-UHFFFAOYSA-N
MW1760.76 g/mol
LogP28.27
Rot. Bonds14

About 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile

2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile (PubChem CID 157459319) has the molecular formula C120H84BBrN8O2 and a molecular weight of 1760.76 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile
PubChem CID157459319
Molecular FormulaC120H84BBrN8O2
Molecular Weight1760.76 g/mol
Exact Mass1758.60
IUPAC Name2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C#N)cc2)c2ccc4ccccc4c2-3)OC1(C)C.N#Cc1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C57H36N4.C36H30BNO2.C27H18BrN3/c58-37-38-26-30-48(31-27-38)57(47-23-8-3-9-24-47)51-33-29-39-14-10-11-25-49(39)53(51)50-32-28-45(36-52(50)57)43-20-12-19-42(34-43)44-21-13-22-46(35-44)56-60-54(40-15-4-1-5-16-40)59-55(61-56)41-17-6-2-7-18-41;1-34(2)35(3,4)40-37(39-34)28-19-20-30-32(22-28)36(26-11-6-5-7-12-26,27-17-14-24(23-38)15-18-27)31-21-16-25-10-8-9-13-29(25)33(30)31;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-36H;5-22H,1-4H3;1-18H
InChIKeyBTSVKDOPVOXYJM-UHFFFAOYSA-N
XLogP28.27
TPSA143.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001760.76
LogP ≤ 528.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile with MolForge

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Related Compounds

2,4-Bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159992290
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2-[3-Bromo-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 68190388
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-[4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531614
2-[3-(7,7-dimethyl-7H-benzo[c]fluoren-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 131746323
7-[5-[3-[4-[4-[2-(7-Cyano-9,9-dimethylfluoren-4-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749703
7-[4-[2-[4-[4-[4-[8-[4-(7-Cyano-9,9-dimethylfluoren-2-yl)phenyl]-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749892
7-[4-[1-[4-[4-[3-[6-[4-(7-Cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749895
7-[4-[5-[2-[4-[2-[4-(7-Cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750021
7-[4-[5-[2-[4-[4-[2-[4-(7-Cyano-9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750099
7-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(7-Cyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750115
7-[4-[4-[4-[4-[4-[4-[4-[4-(7-Cyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile (CID 157459319) is 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C#N)cc2)c2ccc4ccccc4c2-3)OC1(C)C.N#Cc1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile?
The InChIKey is BTSVKDOPVOXYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C36H30BNO2.C27H18BrN3/c58-37-38-26-30-48(31-27-38)57(47-23-8-3-9-24-47)51-33-29-39-14-10-11-25-49(39)53(51)50-32-28-45(36-52(50)57)43-20-12-19-42(34-43)44-21-13-22-46(35-44)56-60-54(40-15-4-1-5-16-40)59-55(61-56)41-17-6-2-7-18-41;1-34(2)35(3,4)40-37(39-34)28-19-20-30-32(22-28)36(26-11-6-5-7-12-26,27-17-14-24(23-38)15-18-27)31-21-16-25-10-8-9-13-29(25)33(30)31;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-36H;5-22H,1-4H3;1-18H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile?
2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile has a molecular weight of 1760.76 g/mol, XLogP of 28.27, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile;4-[7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]benzonitrile is sourced from PubChem (CID 157459319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).