aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine

C155H109BrClN9Pd — CID 159624312

IUPACaniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Nc1ccccc1.[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Cc2ccccc2-4)cc1.c1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H30N4.C32H22.C31H23N.C25H17Br.C15H10ClN3.C6H7N.Pd/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-3-12-24(13-4-1)32(25-14-5-2-6-15-25)30-18-10-9-17-27(30)29-21-28-23(20-31(29)32)19-22-11-7-8-16-26(22)28;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)29-19-11-10-18-27(29)28-21-20-26(22-30(28)31)32-25-16-8-3-9-17-25;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;/h1-30H;1-18,20-21H,19H2;1-22,32H;1-17H;1-10H;1-5H,7H2;
InChIKeyMOHFPBGMNRZPGY-UHFFFAOYSA-N
MW2319.42 g/mol
LogP38.02
Rot. Bonds15

About aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine

aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine (PubChem CID 159624312) has the molecular formula C155H109BrClN9Pd and a molecular weight of 2319.42 g/mol. Its IUPAC name is aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound Nameaniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine
PubChem CID159624312
Molecular FormulaC155H109BrClN9Pd
Molecular Weight2319.42 g/mol
Exact Mass2315.67
IUPAC Nameaniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Nc1ccccc1.[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Cc2ccccc2-4)cc1.c1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H30N4.C32H22.C31H23N.C25H17Br.C15H10ClN3.C6H7N.Pd/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-3-12-24(13-4-1)32(25-14-5-2-6-15-25)30-18-10-9-17-27(30)29-21-28-23(20-31(29)32)19-22-11-7-8-16-26(22)28;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)29-19-11-10-18-27(29)28-21-20-26(22-30(28)31)32-25-16-8-3-9-17-25;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;/h1-30H;1-18,20-21H,19H2;1-22,32H;1-17H;1-10H;1-5H,7H2;
InChIKeyMOHFPBGMNRZPGY-UHFFFAOYSA-N
XLogP38.02
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002319.42
LogP ≤ 538.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine with MolForge

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Related Compounds

5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014713
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole
CID 138744160
5-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542502
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165100535
9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
CID 163876379

Frequently Asked Questions

What is the IUPAC name of aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine?
The IUPAC name of aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine (CID 159624312) is aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine is Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Nc1ccccc1.[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Cc2ccccc2-4)cc1.c1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine?
The InChIKey is MOHFPBGMNRZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C32H22.C31H23N.C25H17Br.C15H10ClN3.C6H7N.Pd/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-3-12-24(13-4-1)32(25-14-5-2-6-15-25)30-18-10-9-17-27(30)29-21-28-23(20-31(29)32)19-22-11-7-8-16-26(22)28;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)29-19-11-10-18-27(29)28-21-20-26(22-30(28)31)32-25-16-8-3-9-17-25;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;/h1-30H;1-18,20-21H,19H2;1-22,32H;1-17H;1-10H;1-5H,7H2;.
What are the key properties of aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine?
aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine has a molecular weight of 2319.42 g/mol, XLogP of 38.02, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 159624312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).