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

C198H133F6N33O2 — CID 157387208

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C72H55N17.C64H36F3N5O2.C62H42F3N11/c1-38-20-26-54(64(32-38)88-60-28-22-49(68-77-39(2)73-40(3)78-68)33-56(60)57-34-50(23-29-61(57)88)69-79-41(4)74-42(5)80-69)55-27-21-53(72-86-66(47-16-12-10-13-17-47)85-67(87-72)48-18-14-11-15-19-48)37-65(55)89-62-30-24-51(70-81-43(6)75-44(7)82-70)35-58(62)59-36-52(25-31-63(59)89)71-83-45(8)76-46(9)84-71;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57;1-35-66-36(2)69-59(68-35)41-24-29-53-49(31-41)45-19-11-13-21-51(45)75(53)55-33-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)23-27-47(55)48-28-26-44(62(63,64)65)34-56(48)76-52-22-14-12-20-46(52)50-32-42(25-30-54(50)76)60-70-37(3)67-38(4)71-60/h10-37H,1-9H3;1-36H;5-34H,1-4H3
InChIKeyBLOPVPOUXHLZOJ-UHFFFAOYSA-N
MW3120.46 g/mol
LogP47.16
Rot. Bonds24

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 157387208) has the molecular formula C198H133F6N33O2 and a molecular weight of 3120.46 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole
PubChem CID157387208
Molecular FormulaC198H133F6N33O2
Molecular Weight3120.46 g/mol
Exact Mass3118.12
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C72H55N17.C64H36F3N5O2.C62H42F3N11/c1-38-20-26-54(64(32-38)88-60-28-22-49(68-77-39(2)73-40(3)78-68)33-56(60)57-34-50(23-29-61(57)88)69-79-41(4)74-42(5)80-69)55-27-21-53(72-86-66(47-16-12-10-13-17-47)85-67(87-72)48-18-14-11-15-19-48)37-65(55)89-62-30-24-51(70-81-43(6)75-44(7)82-70)35-58(62)59-36-52(25-31-63(59)89)71-83-45(8)76-46(9)84-71;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57;1-35-66-36(2)69-59(68-35)41-24-29-53-49(31-41)45-19-11-13-21-51(45)75(53)55-33-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)23-27-47(55)48-28-26-44(62(63,64)65)34-56(48)76-52-22-14-12-20-46(52)50-32-42(25-30-54(50)76)60-70-37(3)67-38(4)71-60/h10-37H,1-9H3;1-36H;5-34H,1-4H3
InChIKeyBLOPVPOUXHLZOJ-UHFFFAOYSA-N
XLogP47.16
TPSA403.89 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms239
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003120.46
LogP ≤ 547.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole (CID 157387208) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole is Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is BLOPVPOUXHLZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H55N17.C64H36F3N5O2.C62H42F3N11/c1-38-20-26-54(64(32-38)88-60-28-22-49(68-77-39(2)73-40(3)78-68)33-56(60)57-34-50(23-29-61(57)88)69-79-41(4)74-42(5)80-69)55-27-21-53(72-86-66(47-16-12-10-13-17-47)85-67(87-72)48-18-14-11-15-19-48)37-65(55)89-62-30-24-51(70-81-43(6)75-44(7)82-70)35-58(62)59-36-52(25-31-63(59)89)71-83-45(8)76-46(9)84-71;65-64(66,67)40-28-30-42(54(36-40)72-50-24-12-8-22-48(50)58-52(72)34-32-46-44-20-10-14-26-56(44)74-60(46)58)41-29-27-39(63-69-61(37-15-3-1-4-16-37)68-62(70-63)38-17-5-2-6-18-38)35-53(41)71-49-23-11-7-21-47(49)57-51(71)33-31-45-43-19-9-13-25-55(43)73-59(45)57;1-35-66-36(2)69-59(68-35)41-24-29-53-49(31-41)45-19-11-13-21-51(45)75(53)55-33-43(61-73-57(39-15-7-5-8-16-39)72-58(74-61)40-17-9-6-10-18-40)23-27-47(55)48-28-26-44(62(63,64)65)34-56(48)76-52-22-14-12-20-46(52)50-32-42(25-30-54(50)76)60-70-37(3)67-38(4)71-60/h10-37H,1-9H3;1-36H;5-34H,1-4H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 3120.46 g/mol, XLogP of 47.16, 24 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[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]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[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]-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 157387208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).