9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C87H53N9 — CID 139492135

IUPAC9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-n8c9ccccc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)nc8ccccc78)c6)ccc54)c3)n2)cc1
InChIInChI=1S/C87H53N9/c1-4-25-54(26-5-1)84-90-85(55-27-6-2-7-28-55)92-86(91-84)59-50-61(93-73-42-19-13-33-63(73)64-34-14-20-43-74(64)93)53-62(51-59)94-75-44-21-15-35-65(75)71-52-57(47-48-78(71)94)56-29-24-30-58(49-56)81-68-38-12-18-41-72(68)88-87(89-81)96-77-46-23-17-40-70(77)80-79-69-39-16-22-45-76(69)95(60-31-8-3-9-32-60)82(79)66-36-10-11-37-67(66)83(80)96/h1-53H
InChIKeyVSGBDZWBPSYNNG-UHFFFAOYSA-N
MW1224.44 g/mol
LogP21.69
Rot. Bonds9

About 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 139492135) has the molecular formula C87H53N9 and a molecular weight of 1224.44 g/mol. Its IUPAC name is 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID139492135
Molecular FormulaC87H53N9
Molecular Weight1224.44 g/mol
Exact Mass1223.44
IUPAC Name9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-n8c9ccccc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)nc8ccccc78)c6)ccc54)c3)n2)cc1
InChIInChI=1S/C87H53N9/c1-4-25-54(26-5-1)84-90-85(55-27-6-2-7-28-55)92-86(91-84)59-50-61(93-73-42-19-13-33-63(73)64-34-14-20-43-74(64)93)53-62(51-59)94-75-44-21-15-35-65(75)71-52-57(47-48-78(71)94)56-29-24-30-58(49-56)81-68-38-12-18-41-72(68)88-87(89-81)96-77-46-23-17-40-70(77)80-79-69-39-16-22-45-76(69)95(60-31-8-3-9-32-60)82(79)66-36-10-11-37-67(66)83(80)96/h1-53H
InChIKeyVSGBDZWBPSYNNG-UHFFFAOYSA-N
XLogP21.69
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.44
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
15-(3,5-diphenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylphenyl)-10-[4-(4-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 159906970
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 162053417
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 159896953
12-(3,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;methane;12-(3-phenylphenyl)-5-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160880044
15-(4-dibenzofuran-3-ylquinazolin-2-yl)-10-(3,5-diphenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;10-(3,5-diphenylphenyl)-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(3,5-diphenylphenyl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-(3-phenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-(4-phenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 159033643
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 134236962

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 139492135) is 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-n8c9ccccc9c9c%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10ccccc%10c98)nc8ccccc78)c6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is VSGBDZWBPSYNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N9/c1-4-25-54(26-5-1)84-90-85(55-27-6-2-7-28-55)92-86(91-84)59-50-61(93-73-42-19-13-33-63(73)64-34-14-20-43-74(64)93)53-62(51-59)94-75-44-21-15-35-65(75)71-52-57(47-48-78(71)94)56-29-24-30-58(49-56)81-68-38-12-18-41-72(68)88-87(89-81)96-77-46-23-17-40-70(77)80-79-69-39-16-22-45-76(69)95(60-31-8-3-9-32-60)82(79)66-36-10-11-37-67(66)83(80)96/h1-53H.
What are the key properties of 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 1224.44 g/mol, XLogP of 21.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]quinazolin-2-yl]-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 139492135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).