3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C165H117BrN6O6 — CID 160636716

IUPAC3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(/C=C/C(=O)c5ccccc5)c4)ccc2n3-c2ccccc2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C=O)c4)ccc2n3-c2ccccc2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c6)ccc4n5-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H43N3.C48H33NO2.C32H21NO2.C13H12NO.C8H8O.BrH/c1-6-18-44(19-7-1)59-40-54(41-60(65-59)45-20-8-2-9-21-45)50-28-16-26-48(36-50)52-32-34-63-57(38-52)58-39-53(33-35-64(58)67(63)56-30-14-5-15-31-56)49-27-17-29-51(37-49)55-42-61(46-22-10-3-11-23-46)66-62(43-55)47-24-12-4-13-25-47;50-47(36-14-4-1-5-15-36)28-22-34-12-10-18-38(30-34)40-24-26-45-43(32-40)44-33-41(25-27-46(44)49(45)42-20-8-3-9-21-42)39-19-11-13-35(31-39)23-29-48(51)37-16-6-2-7-17-37;34-20-22-6-4-8-24(16-22)26-12-14-31-29(18-26)30-19-27(25-9-5-7-23(17-25)21-35)13-15-32(30)33(31)28-10-2-1-3-11-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-43H;1-33H;1-21H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;28-22+,29-23+;;;;
InChIKeyBMTDKERKJOLMAT-SWIFASQVSA-M
MW2359.69 g/mol
LogP37.31
Rot. Bonds27

About 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 160636716) has the molecular formula C165H117BrN6O6 and a molecular weight of 2359.69 g/mol. Its IUPAC name is 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

Compound Name3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
PubChem CID160636716
Molecular FormulaC165H117BrN6O6
Molecular Weight2359.69 g/mol
Exact Mass2356.82
IUPAC Name3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(/C=C/C(=O)c5ccccc5)c4)ccc2n3-c2ccccc2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C=O)c4)ccc2n3-c2ccccc2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c6)ccc4n5-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H43N3.C48H33NO2.C32H21NO2.C13H12NO.C8H8O.BrH/c1-6-18-44(19-7-1)59-40-54(41-60(65-59)45-20-8-2-9-21-45)50-28-16-26-48(36-50)52-32-34-63-57(38-52)58-39-53(33-35-64(58)67(63)56-30-14-5-15-31-56)49-27-17-29-51(37-49)55-42-61(46-22-10-3-11-23-46)66-62(43-55)47-24-12-4-13-25-47;50-47(36-14-4-1-5-15-36)28-22-34-12-10-18-38(30-34)40-24-26-45-43(32-40)44-33-41(25-27-46(44)49(45)42-20-8-3-9-21-42)39-19-11-13-35(31-39)23-29-48(51)37-16-6-2-7-17-37;34-20-22-6-4-8-24(16-22)26-12-14-31-29(18-26)30-19-27(25-9-5-7-23(17-25)21-35)13-15-32(30)33(31)28-10-2-1-3-11-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-43H;1-33H;1-21H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;28-22+,29-23+;;;;
InChIKeyBMTDKERKJOLMAT-SWIFASQVSA-M
XLogP37.31
TPSA146.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.69
LogP ≤ 537.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide 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 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The IUPAC name of 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 160636716) is 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.
What is the SMILES notation for 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The canonical SMILES for 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is CC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(/C=C/C(=O)c5ccccc5)c4)ccc2n3-c2ccccc2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C=O)c4)ccc2n3-c2ccccc2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c6)ccc4n5-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The InChIKey is BMTDKERKJOLMAT-SWIFASQVSA-M. The full InChI is InChI=1S/C64H43N3.C48H33NO2.C32H21NO2.C13H12NO.C8H8O.BrH/c1-6-18-44(19-7-1)59-40-54(41-60(65-59)45-20-8-2-9-21-45)50-28-16-26-48(36-50)52-32-34-63-57(38-52)58-39-53(33-35-64(58)67(63)56-30-14-5-15-31-56)49-27-17-29-51(37-49)55-42-61(46-22-10-3-11-23-46)66-62(43-55)47-24-12-4-13-25-47;50-47(36-14-4-1-5-15-36)28-22-34-12-10-18-38(30-34)40-24-26-45-43(32-40)44-33-41(25-27-46(44)49(45)42-20-8-3-9-21-42)39-19-11-13-35(31-39)23-29-48(51)37-16-6-2-7-17-37;34-20-22-6-4-8-24(16-22)26-12-14-31-29(18-26)30-19-27(25-9-5-7-23(17-25)21-35)13-15-32(30)33(31)28-10-2-1-3-11-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-43H;1-33H;1-21H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;28-22+,29-23+;;;;.
What are the key properties of 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 2359.69 g/mol, XLogP of 37.31, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenylcarbazole;3-[6-(3-formylphenyl)-9-phenylcarbazol-3-yl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 160636716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).