5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane

C50H42N10S2 — CID 144837106

IUPAC5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane
SMILESCC.Cc1ccc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)cc1-c1cc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)ccc1C
InChIInChI=1S/C48H36N10S2.C2H6/c1-27-13-15-29(57-41-31(33-11-5-17-53-47(33)57)7-3-9-35(41)39-43(59-25-55-39)45-49-19-20-50-45)23-37(27)38-24-30(16-14-28(38)2)58-42-32(34-12-6-18-54-48(34)58)8-4-10-36(42)40-44(60-26-56-40)46-51-21-22-52-46;1-2/h3-18,23-26H,19-22H2,1-2H3,(H,49,50)(H,51,52);1-2H3
InChIKeySPQVXHHVRLOSSU-UHFFFAOYSA-N
MW847.09 g/mol
LogP10.93
Rot. Bonds7

About 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane

5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane (PubChem CID 144837106) has the molecular formula C50H42N10S2 and a molecular weight of 847.09 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane
PubChem CID144837106
Molecular FormulaC50H42N10S2
Molecular Weight847.09 g/mol
Exact Mass846.30
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane
SMILESCC.Cc1ccc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)cc1-c1cc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)ccc1C
InChIInChI=1S/C48H36N10S2.C2H6/c1-27-13-15-29(57-41-31(33-11-5-17-53-47(33)57)7-3-9-35(41)39-43(59-25-55-39)45-49-19-20-50-45)23-37(27)38-24-30(16-14-28(38)2)58-42-32(34-12-6-18-54-48(34)58)8-4-10-36(42)40-44(60-26-56-40)46-51-21-22-52-46;1-2/h3-18,23-26H,19-22H2,1-2H3,(H,49,50)(H,51,52);1-2H3
InChIKeySPQVXHHVRLOSSU-UHFFFAOYSA-N
XLogP10.93
TPSA110.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.09
LogP ≤ 510.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane (CID 144837106) is 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane is CC.Cc1ccc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)cc1-c1cc(-n2c3ncccc3c3cccc(-c4ncsc4C4=NCCN4)c32)ccc1C.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane?
The InChIKey is SPQVXHHVRLOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N10S2.C2H6/c1-27-13-15-29(57-41-31(33-11-5-17-53-47(33)57)7-3-9-35(41)39-43(59-25-55-39)45-49-19-20-50-45)23-37(27)38-24-30(16-14-28(38)2)58-42-32(34-12-6-18-54-48(34)58)8-4-10-36(42)40-44(60-26-56-40)46-51-21-22-52-46;1-2/h3-18,23-26H,19-22H2,1-2H3,(H,49,50)(H,51,52);1-2H3.
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane?
5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane has a molecular weight of 847.09 g/mol, XLogP of 10.93, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-yl)-4-[9-[3-[5-[8-[5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]-2-methylphenyl]-4-methylphenyl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole;ethane is sourced from PubChem (CID 144837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).