5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole

C72H49BrN4 — CID 90226949

IUPAC5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3cc21
InChIInChI=1S/C72H49BrN4/c1-72(2)65-32-16-15-31-61(65)62-44-64-63-43-60(73)33-34-67(63)77(68(64)45-66(62)72)71-75-69(52-29-17-27-50(35-52)58-39-54(46-19-7-3-8-20-46)37-55(40-58)47-21-9-4-10-22-47)74-70(76-71)53-30-18-28-51(36-53)59-41-56(48-23-11-5-12-24-48)38-57(42-59)49-25-13-6-14-26-49/h3-45H,1-2H3
InChIKeyBMQBEZWJECCHMT-UHFFFAOYSA-N
MW1050.12 g/mol
LogP19.37
Rot. Bonds9

About 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole

5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 90226949) has the molecular formula C72H49BrN4 and a molecular weight of 1050.12 g/mol. Its IUPAC name is 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID90226949
Molecular FormulaC72H49BrN4
Molecular Weight1050.12 g/mol
Exact Mass1048.31
IUPAC Name5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3cc21
InChIInChI=1S/C72H49BrN4/c1-72(2)65-32-16-15-31-61(65)62-44-64-63-43-60(73)33-34-67(63)77(68(64)45-66(62)72)71-75-69(52-29-17-27-50(35-52)58-39-54(46-19-7-3-8-20-46)37-55(40-58)47-21-9-4-10-22-47)74-70(76-71)53-30-18-28-51(36-53)59-41-56(48-23-11-5-12-24-48)38-57(42-59)49-25-13-6-14-26-49/h3-45H,1-2H3
InChIKeyBMQBEZWJECCHMT-UHFFFAOYSA-N
XLogP19.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.12
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole (CID 90226949) is 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3cc21.
What is the InChIKey of 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is BMQBEZWJECCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49BrN4/c1-72(2)65-32-16-15-31-61(65)62-44-64-63-43-60(73)33-34-67(63)77(68(64)45-66(62)72)71-75-69(52-29-17-27-50(35-52)58-39-54(46-19-7-3-8-20-46)37-55(40-58)47-21-9-4-10-22-47)74-70(76-71)53-30-18-28-51(36-53)59-41-56(48-23-11-5-12-24-48)38-57(42-59)49-25-13-6-14-26-49/h3-45H,1-2H3.
What are the key properties of 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole?
5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1050.12 g/mol, XLogP of 19.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 90226949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).