2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole

C105H68BrN13 — CID 157068239

IUPAC2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccccc6)c54)c3)n2)cc1.c1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C52H33N7.C32H21N3.C21H14BrN3/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)37-20-14-23-39(32-37)57-44-28-12-10-24-41(44)42-26-15-25-40(48(42)57)36-30-31-46-47(33-36)59-45-29-13-11-27-43(45)53-52(59)58(46)38-21-8-3-9-22-38;1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-33H;1-18,20H,19H2;1-14H
InChIKeyACCYLDUFMFJJBP-UHFFFAOYSA-N
MW1591.69 g/mol
LogP25.69
Rot. Bonds11

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 157068239) has the molecular formula C105H68BrN13 and a molecular weight of 1591.69 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID157068239
Molecular FormulaC105H68BrN13
Molecular Weight1591.69 g/mol
Exact Mass1589.49
IUPAC Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccccc6)c54)c3)n2)cc1.c1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C52H33N7.C32H21N3.C21H14BrN3/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)37-20-14-23-39(32-37)57-44-28-12-10-24-41(44)42-26-15-25-40(48(42)57)36-30-31-46-47(33-36)59-45-29-13-11-27-43(45)53-52(59)58(46)38-21-8-3-9-22-38;1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-33H;1-18,20H,19H2;1-14H
InChIKeyACCYLDUFMFJJBP-UHFFFAOYSA-N
XLogP25.69
TPSA126.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.69
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

2-(3-bromo-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-(3-methylphenyl)pyrrolo[2,3-a]carbazole;1-[3-(trifluoromethyl)phenyl]-10H-indeno[1,2-g]indole
CID 157949923
19-[7-(16,16-Dimethyl-24-phenyl-24-aza-15-azonia-16-boranuidahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-19-yl)-9,9-dihexylfluoren-2-yl]-16,16-dimethyl-24-phenyl-24-aza-15-azonia-16-boranuidahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 168343289
9-Phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole
CID 21111884
12-[4-(4-Carbazol-9-ylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 57997119
11-Phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 57997127
12-[4-[4,6-Bis(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 57997162
9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole
CID 58037507
2-[3-[9-[3,5-Bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 58142202
9-[3-[3-Bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 58500867
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole
CID 88886979
12-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
12-[4-(2'-Carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886985

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole (CID 157068239) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccccc6)c54)c3)n2)cc1.c1ccc(-n2c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3n3c4ccccc4nc23)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is ACCYLDUFMFJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7.C32H21N3.C21H14BrN3/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)37-20-14-23-39(32-37)57-44-28-12-10-24-41(44)42-26-15-25-40(48(42)57)36-30-31-46-47(33-36)59-45-29-13-11-27-43(45)53-52(59)58(46)38-21-8-3-9-22-38;1-2-10-23(11-3-1)34-30-18-17-22(20-31(30)35-29-16-7-6-15-28(29)33-32(34)35)25-13-8-14-26-24-12-5-4-9-21(24)19-27(25)26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-33H;1-18,20H,19H2;1-14H.
What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole?
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1591.69 g/mol, XLogP of 25.69, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 157068239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).