methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate

C43H29N5O4 — CID 144596067

IUPACmethyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(C(=O)OC)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C43H29N5O4/c1-51-41(49)28-20-16-26(17-21-28)39-44-40(27-18-22-29(23-19-27)42(50)52-2)46-43(45-39)48-36-15-9-7-13-32(36)34-25-24-33-31-12-6-8-14-35(31)47(37(33)38(34)48)30-10-4-3-5-11-30/h3-25H,1-2H3
InChIKeyNMZZUSUYTFEXCV-UHFFFAOYSA-N
MW679.74 g/mol
LogP8.97
Rot. Bonds6

About methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate

methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate (PubChem CID 144596067) has the molecular formula C43H29N5O4 and a molecular weight of 679.74 g/mol. Its IUPAC name is methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate
PubChem CID144596067
Molecular FormulaC43H29N5O4
Molecular Weight679.74 g/mol
Exact Mass679.22
IUPAC Namemethyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(C(=O)OC)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C43H29N5O4/c1-51-41(49)28-20-16-26(17-21-28)39-44-40(27-18-22-29(23-19-27)42(50)52-2)46-43(45-39)48-36-15-9-7-13-32(36)34-25-24-33-31-12-6-8-14-35(31)47(37(33)38(34)48)30-10-4-3-5-11-30/h3-25H,1-2H3
InChIKeyNMZZUSUYTFEXCV-UHFFFAOYSA-N
XLogP8.97
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
12-[4-[4-(4-fluorophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 144596071
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
12-[4-[4-(3,5-dimethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 134509772
methyl 4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate
CID 121276765
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate (CID 144596067) is methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc(C(=O)OC)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate?
The InChIKey is NMZZUSUYTFEXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O4/c1-51-41(49)28-20-16-26(17-21-28)39-44-40(27-18-22-29(23-19-27)42(50)52-2)46-43(45-39)48-36-15-9-7-13-32(36)34-25-24-33-31-12-6-8-14-35(31)47(37(33)38(34)48)30-10-4-3-5-11-30/h3-25H,1-2H3.
What are the key properties of methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate?
methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate has a molecular weight of 679.74 g/mol, XLogP of 8.97, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate is sourced from PubChem (CID 144596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).