6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole

C62H44N6O4S2 — CID 143655556

IUPAC6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)c(-c3nc4c5ccccc5c5cc(-c6cc(S(=O)(=O)n7cc(-c8nc9c%10ccccc%10c%10ccccc%10c9[nH]8)c8cc(C)ccc87)ccc6C)ccc5c4[nH]3)c3ccccc32)cc1
InChIInChI=1S/C62H44N6O4S2/c1-35-21-26-40(27-22-35)74(71,72)68-38(4)56(49-19-11-12-20-55(49)68)62-65-59-47-18-10-7-15-44(47)51-32-39(25-29-48(51)60(59)66-62)50-33-41(28-24-37(50)3)73(69,70)67-34-53(52-31-36(2)23-30-54(52)67)61-63-57-45-16-8-5-13-42(45)43-14-6-9-17-46(43)58(57)64-61/h5-34H,1-4H3,(H,63,64)(H,65,66)
InChIKeyRXJRYFPVSMREBF-UHFFFAOYSA-N
MW1001.21 g/mol
LogP14.67
Rot. Bonds7

About 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole

6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole (PubChem CID 143655556) has the molecular formula C62H44N6O4S2 and a molecular weight of 1001.21 g/mol. Its IUPAC name is 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole
PubChem CID143655556
Molecular FormulaC62H44N6O4S2
Molecular Weight1001.21 g/mol
Exact Mass1000.29
IUPAC Name6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)c(-c3nc4c5ccccc5c5cc(-c6cc(S(=O)(=O)n7cc(-c8nc9c%10ccccc%10c%10ccccc%10c9[nH]8)c8cc(C)ccc87)ccc6C)ccc5c4[nH]3)c3ccccc32)cc1
InChIInChI=1S/C62H44N6O4S2/c1-35-21-26-40(27-22-35)74(71,72)68-38(4)56(49-19-11-12-20-55(49)68)62-65-59-47-18-10-7-15-44(47)51-32-39(25-29-48(51)60(59)66-62)50-33-41(28-24-37(50)3)73(69,70)67-34-53(52-31-36(2)23-30-54(52)67)61-63-57-45-16-8-5-13-42(45)43-14-6-9-17-46(43)58(57)64-61/h5-34H,1-4H3,(H,63,64)(H,65,66)
InChIKeyRXJRYFPVSMREBF-UHFFFAOYSA-N
XLogP14.67
TPSA135.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.21
LogP ≤ 514.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole?
The IUPAC name of 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole (CID 143655556) is 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole is Cc1ccc(S(=O)(=O)n2c(C)c(-c3nc4c5ccccc5c5cc(-c6cc(S(=O)(=O)n7cc(-c8nc9c%10ccccc%10c%10ccccc%10c9[nH]8)c8cc(C)ccc87)ccc6C)ccc5c4[nH]3)c3ccccc32)cc1.
What is the InChIKey of 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole?
The InChIKey is RXJRYFPVSMREBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N6O4S2/c1-35-21-26-40(27-22-35)74(71,72)68-38(4)56(49-19-11-12-20-55(49)68)62-65-59-47-18-10-7-15-44(47)51-32-39(25-29-48(51)60(59)66-62)50-33-41(28-24-37(50)3)73(69,70)67-34-53(52-31-36(2)23-30-54(52)67)61-63-57-45-16-8-5-13-42(45)43-14-6-9-17-46(43)58(57)64-61/h5-34H,1-4H3,(H,63,64)(H,65,66).
What are the key properties of 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole?
6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole has a molecular weight of 1001.21 g/mol, XLogP of 14.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-5-[5-methyl-3-(1H-phenanthro[9,10-d]imidazol-2-yl)indol-1-yl]sulfonylphenyl]-2-[2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 143655556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).