3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C143H89N21 — CID 159586717

IUPAC3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)nc1
InChIInChI=1S/C49H31N7.2C47H29N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)55-43-21-6-4-17-37(43)39-30-34(23-25-45(39)55)35-24-26-46-40(31-35)38-18-5-7-22-44(38)56(46)49-53-47(41-19-8-10-27-50-41)52-48(54-49)42-20-9-11-28-51-42;1-2-14-33-30(12-1)13-11-21-40(33)53-41-19-5-3-15-34(41)36-28-31(22-24-43(36)53)32-23-25-44-37(29-32)35-16-4-6-20-42(35)54(44)47-51-45(38-17-7-9-26-48-38)50-46(52-47)39-18-8-10-27-49-39;1-2-12-31-27-34(22-19-30(31)11-1)53-41-17-5-3-13-35(41)37-28-32(20-23-43(37)53)33-21-24-44-38(29-33)36-14-4-6-18-42(36)54(44)47-51-45(39-15-7-9-25-48-39)50-46(52-47)40-16-8-10-26-49-40/h1-31H;2*1-29H
InChIKeyMJSCTAXBWULNKT-UHFFFAOYSA-N
MW2101.43 g/mol
LogP33.54
Rot. Bonds16

About 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 159586717) has the molecular formula C143H89N21 and a molecular weight of 2101.43 g/mol. Its IUPAC name is 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID159586717
Molecular FormulaC143H89N21
Molecular Weight2101.43 g/mol
Exact Mass2099.76
IUPAC Name3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)nc1
InChIInChI=1S/C49H31N7.2C47H29N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)55-43-21-6-4-17-37(43)39-30-34(23-25-45(39)55)35-24-26-46-40(31-35)38-18-5-7-22-44(38)56(46)49-53-47(41-19-8-10-27-50-41)52-48(54-49)42-20-9-11-28-51-42;1-2-14-33-30(12-1)13-11-21-40(33)53-41-19-5-3-15-34(41)36-28-31(22-24-43(36)53)32-23-25-44-37(29-32)35-16-4-6-20-42(35)54(44)47-51-45(38-17-7-9-26-48-38)50-46(52-47)39-18-8-10-27-49-39;1-2-12-31-27-34(22-19-30(31)11-1)53-41-17-5-3-13-35(41)37-28-32(20-23-43(37)53)33-21-24-44-38(29-33)36-14-4-6-18-42(36)54(44)47-51-45(39-15-7-9-25-48-39)50-46(52-47)40-16-8-10-26-49-40/h1-31H;2*1-29H
InChIKeyMJSCTAXBWULNKT-UHFFFAOYSA-N
XLogP33.54
TPSA222.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002101.43
LogP ≤ 533.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 159586717) is 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)nc1.
What is the InChIKey of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is MJSCTAXBWULNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7.2C47H29N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)55-43-21-6-4-17-37(43)39-30-34(23-25-45(39)55)35-24-26-46-40(31-35)38-18-5-7-22-44(38)56(46)49-53-47(41-19-8-10-27-50-41)52-48(54-49)42-20-9-11-28-51-42;1-2-14-33-30(12-1)13-11-21-40(33)53-41-19-5-3-15-34(41)36-28-31(22-24-43(36)53)32-23-25-44-37(29-32)35-16-4-6-20-42(35)54(44)47-51-45(38-17-7-9-26-48-38)50-46(52-47)39-18-8-10-27-49-39;1-2-12-31-27-34(22-19-30(31)11-1)53-41-17-5-3-13-35(41)37-28-32(20-23-43(37)53)33-21-24-44-38(29-33)36-14-4-6-18-42(36)54(44)47-51-45(39-15-7-9-25-48-39)50-46(52-47)40-16-8-10-26-49-40/h1-31H;2*1-29H.
What are the key properties of 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 2101.43 g/mol, XLogP of 33.54, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 159586717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).