5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole

C66H52N12O — CID 58501579

IUPAC5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole
SMILESCc1c(-n2ccnc2-c2c(C)c(-c3nccn3C)c3oc4c(-c5nccn5C)c(C)c(-c5nccn5-c5cccc(-n6c7ccccc7c7cnccc76)c5C)c(C)c4c3c2C)cccc1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C66H52N12O/c1-37-47(19-13-21-49(37)77-51-17-11-9-15-43(51)45-35-67-25-23-53(45)77)75-33-29-71-65(75)55-39(3)57-58-40(4)56(42(6)60(64-70-28-32-74(64)8)62(58)79-61(57)59(41(55)5)63-69-27-31-73(63)7)66-72-30-34-76(66)48-20-14-22-50(38(48)2)78-52-18-12-10-16-44(52)46-36-68-26-24-54(46)78/h9-36H,1-8H3
InChIKeyLZNCCMBYGDHPAE-UHFFFAOYSA-N
MW1029.23 g/mol
LogP14.93
Rot. Bonds8

About 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole

5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 58501579) has the molecular formula C66H52N12O and a molecular weight of 1029.23 g/mol. Its IUPAC name is 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole
PubChem CID58501579
Molecular FormulaC66H52N12O
Molecular Weight1029.23 g/mol
Exact Mass1028.44
IUPAC Name5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole
SMILESCc1c(-n2ccnc2-c2c(C)c(-c3nccn3C)c3oc4c(-c5nccn5C)c(C)c(-c5nccn5-c5cccc(-n6c7ccccc7c7cnccc76)c5C)c(C)c4c3c2C)cccc1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C66H52N12O/c1-37-47(19-13-21-49(37)77-51-17-11-9-15-43(51)45-35-67-25-23-53(45)77)75-33-29-71-65(75)55-39(3)57-58-40(4)56(42(6)60(64-70-28-32-74(64)8)62(58)79-61(57)59(41(55)5)63-69-27-31-73(63)7)66-72-30-34-76(66)48-20-14-22-50(38(48)2)78-52-18-12-10-16-44(52)46-36-68-26-24-54(46)78/h9-36H,1-8H3
InChIKeyLZNCCMBYGDHPAE-UHFFFAOYSA-N
XLogP14.93
TPSA120.06 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.23
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole (CID 58501579) is 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole is Cc1c(-n2ccnc2-c2c(C)c(-c3nccn3C)c3oc4c(-c5nccn5C)c(C)c(-c5nccn5-c5cccc(-n6c7ccccc7c7cnccc76)c5C)c(C)c4c3c2C)cccc1-n1c2ccccc2c2cnccc21.
What is the InChIKey of 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is LZNCCMBYGDHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N12O/c1-37-47(19-13-21-49(37)77-51-17-11-9-15-43(51)45-35-67-25-23-53(45)77)75-33-29-71-65(75)55-39(3)57-58-40(4)56(42(6)60(64-70-28-32-74(64)8)62(58)79-61(57)59(41(55)5)63-69-27-31-73(63)7)66-72-30-34-76(66)48-20-14-22-50(38(48)2)78-52-18-12-10-16-44(52)46-36-68-26-24-54(46)78/h9-36H,1-8H3.
What are the key properties of 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole?
5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1029.23 g/mol, XLogP of 14.93, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-3-[2-[1,3,7,9-tetramethyl-4,6-bis(1-methylimidazol-2-yl)-8-[1-(2-methyl-3-pyrido[4,3-b]indol-5-ylphenyl)imidazol-2-yl]dibenzofuran-2-yl]imidazol-1-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58501579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).