24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

C91H51N11S3 — CID 134361433

IUPAC24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c(nc5-c5ccccc5)c5c7ccccc7n(-c7ccc8nc(-c9ccccc9)nc(-c9ccccc9)c8c7)c5c5sc7ccccc7c65)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5c6nsnc6c6c7ccccc7sc6c54)c3)n2)cc1
InChIInChI=1S/C91H51N11S3/c1-5-22-54(23-6-1)77-67-51-62(48-49-68(67)92-88(95-77)57-26-9-3-10-27-57)102-69-36-17-13-32-63(69)73-80-81(75-65-34-15-19-38-71(65)103-86(75)84(73)102)94-79(78(93-80)55-24-7-2-8-25-55)56-44-40-52(41-45-56)53-42-46-59(47-43-53)90-96-89(58-28-11-4-12-29-58)97-91(98-90)60-30-21-31-61(50-60)101-70-37-18-14-33-64(70)74-82-83(100-105-99-82)76-66-35-16-20-39-72(66)104-87(76)85(74)101/h1-51H
InChIKeyLZUDQAPKFYZNPZ-UHFFFAOYSA-N
MW1394.69 g/mol
LogP24.03
Rot. Bonds10

About 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (PubChem CID 134361433) has the molecular formula C91H51N11S3 and a molecular weight of 1394.69 g/mol. Its IUPAC name is 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
PubChem CID134361433
Molecular FormulaC91H51N11S3
Molecular Weight1394.69 g/mol
Exact Mass1393.35
IUPAC Name24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c(nc5-c5ccccc5)c5c7ccccc7n(-c7ccc8nc(-c9ccccc9)nc(-c9ccccc9)c8c7)c5c5sc7ccccc7c65)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5c6nsnc6c6c7ccccc7sc6c54)c3)n2)cc1
InChIInChI=1S/C91H51N11S3/c1-5-22-54(23-6-1)77-67-51-62(48-49-68(67)92-88(95-77)57-26-9-3-10-27-57)102-69-36-17-13-32-63(69)73-80-81(75-65-34-15-19-38-71(65)103-86(75)84(73)102)94-79(78(93-80)55-24-7-2-8-25-55)56-44-40-52(41-45-56)53-42-46-59(47-43-53)90-96-89(58-28-11-4-12-29-58)97-91(98-90)60-30-21-31-61(50-60)101-70-37-18-14-33-64(70)74-82-83(100-105-99-82)76-66-35-16-20-39-72(66)104-87(76)85(74)101/h1-51H
InChIKeyLZUDQAPKFYZNPZ-UHFFFAOYSA-N
XLogP24.03
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.69
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene with MolForge

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Related Compounds

21-(2,4-diphenylquinazolin-6-yl)-9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634946
12-[3-[6-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126630940
18-(2,4-diphenylquinazolin-6-yl)-9,24-dithia-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
CID 146610830
21-[3-(4-phenylquinazolin-2-yl)phenyl]-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635146
21-dibenzofuran-2-yl-9-phenyl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-phenyl-21-(4-phenylphenyl)-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9-phenyl-21-[4-(4-phenylquinazolin-2-yl)phenyl]-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;4-[4-phenyl-6-[4-(9-phenyl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-21-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 160551379
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-thia-3,8-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 134361308
4-[4-[4-phenyl-6-[3-(9-phenyl-21-thia-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-18-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 118634452
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634947
6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163432035
6-[4-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163421871
12-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359175
24-[7-(4-phenylbenzo[h]quinazolin-2-yl)dibenzothiophen-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 130452700

Frequently Asked Questions

What is the IUPAC name of 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?
The IUPAC name of 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (CID 134361433) is 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.
What is the SMILES notation for 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?
The canonical SMILES for 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6c(nc5-c5ccccc5)c5c7ccccc7n(-c7ccc8nc(-c9ccccc9)nc(-c9ccccc9)c8c7)c5c5sc7ccccc7c65)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5c6nsnc6c6c7ccccc7sc6c54)c3)n2)cc1.
What is the InChIKey of 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?
The InChIKey is LZUDQAPKFYZNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H51N11S3/c1-5-22-54(23-6-1)77-67-51-62(48-49-68(67)92-88(95-77)57-26-9-3-10-27-57)102-69-36-17-13-32-63(69)73-80-81(75-65-34-15-19-38-71(65)103-86(75)84(73)102)94-79(78(93-80)55-24-7-2-8-25-55)56-44-40-52(41-45-56)53-42-46-59(47-43-53)90-96-89(58-28-11-4-12-29-58)97-91(98-90)60-30-21-31-61(50-60)101-70-37-18-14-33-64(70)74-82-83(100-105-99-82)76-66-35-16-20-39-72(66)104-87(76)85(74)101/h1-51H.
What are the key properties of 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?
24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene has a molecular weight of 1394.69 g/mol, XLogP of 24.03, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2,4-diphenylquinazolin-6-yl)-13-[4-[4-[4-[3-(3,13-dithia-12,14,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 134361433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).