2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole

C86H61BrN6 — CID 157486759

IUPAC2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H30BrN3.C43H31N3/c1-43(2)36-22-30(27-12-6-3-7-13-27)18-20-32(36)33-25-41-35(24-37(33)43)34-23-31(44)19-21-40(34)47(41)42-45-38(28-14-8-4-9-15-28)26-39(46-42)29-16-10-5-11-17-29;1-43(2)36-24-31(28-14-6-3-7-15-28)22-23-32(36)34-26-41-35(25-37(34)43)33-20-12-13-21-40(33)46(41)42-44-38(29-16-8-4-9-17-29)27-39(45-42)30-18-10-5-11-19-30/h3-26H,1-2H3;3-27H,1-2H3
InChIKeyBWUQHTHRLGTEML-UHFFFAOYSA-N
MW1258.38 g/mol
LogP22.52
Rot. Bonds8

About 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole

2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole (PubChem CID 157486759) has the molecular formula C86H61BrN6 and a molecular weight of 1258.38 g/mol. Its IUPAC name is 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole
PubChem CID157486759
Molecular FormulaC86H61BrN6
Molecular Weight1258.38 g/mol
Exact Mass1256.41
IUPAC Name2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H30BrN3.C43H31N3/c1-43(2)36-22-30(27-12-6-3-7-13-27)18-20-32(36)33-25-41-35(24-37(33)43)34-23-31(44)19-21-40(34)47(41)42-45-38(28-14-8-4-9-15-28)26-39(46-42)29-16-10-5-11-17-29;1-43(2)36-24-31(28-14-6-3-7-15-28)22-23-32(36)34-26-41-35(25-37(34)43)33-20-12-13-21-40(33)46(41)42-44-38(29-16-8-4-9-17-29)27-39(45-42)30-18-10-5-11-19-30/h3-26H,1-2H3;3-27H,1-2H3
InChIKeyBWUQHTHRLGTEML-UHFFFAOYSA-N
XLogP22.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.38
LogP ≤ 522.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole with MolForge

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Related Compounds

5-(3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
CID 66797894
5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-fluoro-7,7-dimethylindeno[2,1-b]carbazole
CID 66805073
5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-fluoro-7,7-dimethylindeno[2,1-b]carbazole
CID 66805083
9-[4-(2'-Carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
CID 88886987
9-[4-(3,6-Difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
CID 88891323
3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 90129246
9-[4-[4,6-Bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-1-yl]-27,27-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 117727391
9-[6-[4,6-Bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118641097
3-[9-[4,6-Bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276682
3-[9-[4-(7-Fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276683
3-[9-[4,6-Bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276684
3-[9-[4-(7-Fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276685

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole?
The IUPAC name of 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole (CID 157486759) is 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole.
What is the SMILES notation for 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole?
The canonical SMILES for 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole?
The InChIKey is BWUQHTHRLGTEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30BrN3.C43H31N3/c1-43(2)36-22-30(27-12-6-3-7-13-27)18-20-32(36)33-25-41-35(24-37(33)43)34-23-31(44)19-21-40(34)47(41)42-45-38(28-14-8-4-9-15-28)26-39(46-42)29-16-10-5-11-17-29;1-43(2)36-24-31(28-14-6-3-7-15-28)22-23-32(36)34-26-41-35(25-37(34)43)33-20-12-13-21-40(33)46(41)42-44-38(29-16-8-4-9-17-29)27-39(45-42)30-18-10-5-11-19-30/h3-26H,1-2H3;3-27H,1-2H3.
What are the key properties of 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole?
2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole has a molecular weight of 1258.38 g/mol, XLogP of 22.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethyl-9-phenylindeno[1,2-b]carbazole is sourced from PubChem (CID 157486759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).