5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole

C192H130N36O2 — CID 159633206

IUPAC5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1
InChIInChI=1S/C70H52N18.C62H36N6O2.C60H42N12/c1-37-72-38(2)77-66(76-37)47-20-25-58-54(31-47)55-32-48(67-78-39(3)73-40(4)79-67)21-26-59(55)87(58)62-35-51(70-85-64(45-15-11-9-12-16-45)84-65(86-70)46-17-13-10-14-18-46)19-24-52(62)53-29-30-71-36-63(53)88-60-27-22-49(68-80-41(5)74-42(6)81-68)33-56(60)57-34-50(23-28-61(57)88)69-82-43(7)75-44(8)83-69;1-3-15-37(16-4-1)60-64-61(38-17-5-2-6-18-38)66-62(65-60)39-27-28-40(52(35-39)67-48-23-11-7-21-46(48)56-50(67)31-29-44-42-19-9-13-25-54(42)69-58(44)56)41-33-34-63-36-53(41)68-49-24-12-8-22-47(49)57-51(68)32-30-45-43-20-10-14-26-55(43)70-59(45)57;1-35-62-36(2)65-58(64-35)41-24-27-52-48(31-41)44-19-11-13-21-50(44)71(52)54-33-43(60-69-56(39-15-7-5-8-16-39)68-57(70-60)40-17-9-6-10-18-40)23-26-46(54)47-29-30-61-34-55(47)72-51-22-14-12-20-45(51)49-32-42(25-28-53(49)72)59-66-37(3)63-38(4)67-59/h9-36H,1-8H3;1-36H;5-34H,1-4H3
InChIKeyMPKATHYPVMRWHP-UHFFFAOYSA-N
MW2973.40 g/mol
LogP43.00
Rot. Bonds24

About 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole

5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole (PubChem CID 159633206) has the molecular formula C192H130N36O2 and a molecular weight of 2973.40 g/mol. Its IUPAC name is 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole
PubChem CID159633206
Molecular FormulaC192H130N36O2
Molecular Weight2973.40 g/mol
Exact Mass2971.12
IUPAC Name5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1
InChIInChI=1S/C70H52N18.C62H36N6O2.C60H42N12/c1-37-72-38(2)77-66(76-37)47-20-25-58-54(31-47)55-32-48(67-78-39(3)73-40(4)79-67)21-26-59(55)87(58)62-35-51(70-85-64(45-15-11-9-12-16-45)84-65(86-70)46-17-13-10-14-18-46)19-24-52(62)53-29-30-71-36-63(53)88-60-27-22-49(68-80-41(5)74-42(6)81-68)33-56(60)57-34-50(23-28-61(57)88)69-82-43(7)75-44(8)83-69;1-3-15-37(16-4-1)60-64-61(38-17-5-2-6-18-38)66-62(65-60)39-27-28-40(52(35-39)67-48-23-11-7-21-46(48)56-50(67)31-29-44-42-19-9-13-25-54(42)69-58(44)56)41-33-34-63-36-53(41)68-49-24-12-8-22-47(49)57-51(68)32-30-45-43-20-10-14-26-55(43)70-59(45)57;1-35-62-36(2)65-58(64-35)41-24-27-52-48(31-41)44-19-11-13-21-50(44)71(52)54-33-43(60-69-56(39-15-7-5-8-16-39)68-57(70-60)40-17-9-6-10-18-40)23-26-46(54)47-29-30-61-34-55(47)72-51-22-14-12-20-45(51)49-32-42(25-28-53(49)72)59-66-37(3)63-38(4)67-59/h9-36H,1-8H3;1-36H;5-34H,1-4H3
InChIKeyMPKATHYPVMRWHP-UHFFFAOYSA-N
XLogP43.00
TPSA442.56 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002973.40
LogP ≤ 543.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole?
The IUPAC name of 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole (CID 159633206) is 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole.
What is the SMILES notation for 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole?
The canonical SMILES for 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1.
What is the InChIKey of 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole?
The InChIKey is MPKATHYPVMRWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N18.C62H36N6O2.C60H42N12/c1-37-72-38(2)77-66(76-37)47-20-25-58-54(31-47)55-32-48(67-78-39(3)73-40(4)79-67)21-26-59(55)87(58)62-35-51(70-85-64(45-15-11-9-12-16-45)84-65(86-70)46-17-13-10-14-18-46)19-24-52(62)53-29-30-71-36-63(53)88-60-27-22-49(68-80-41(5)74-42(6)81-68)33-56(60)57-34-50(23-28-61(57)88)69-82-43(7)75-44(8)83-69;1-3-15-37(16-4-1)60-64-61(38-17-5-2-6-18-38)66-62(65-60)39-27-28-40(52(35-39)67-48-23-11-7-21-46(48)56-50(67)31-29-44-42-19-9-13-25-54(42)69-58(44)56)41-33-34-63-36-53(41)68-49-24-12-8-22-47(49)57-51(68)32-30-45-43-20-10-14-26-55(43)70-59(45)57;1-35-62-36(2)65-58(64-35)41-24-27-52-48(31-41)44-19-11-13-21-50(44)71(52)54-33-43(60-69-56(39-15-7-5-8-16-39)68-57(70-60)40-17-9-6-10-18-40)23-26-46(54)47-29-30-61-34-55(47)72-51-22-14-12-20-45(51)49-32-42(25-28-53(49)72)59-66-37(3)63-38(4)67-59/h9-36H,1-8H3;1-36H;5-34H,1-4H3.
What are the key properties of 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole?
5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole has a molecular weight of 2973.40 g/mol, XLogP of 43.00, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-[1]benzofuro[3,2-c]carbazole;9-[4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 159633206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).