5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene

C100H62N6S2 — CID 158353313

IUPAC5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
SMILESc1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6cn7ccccc7n6)cc5)c4c3c2)cc1.c1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3c2)cc1
InChIInChI=1S/C53H33N3S.C47H29N3S/c1-4-14-34(15-5-1)37-26-30-46-43(32-37)49-50-44-33-38(35-16-6-2-7-17-35)27-31-48(44)57-52(50)42-21-11-10-20-41(42)51(49)55(46)40-28-24-36(25-29-40)53-54-45-22-12-13-23-47(45)56(53)39-18-8-3-9-19-39;1-3-11-30(12-4-1)33-20-24-41-38(27-33)44-45-39-28-34(31-13-5-2-6-14-31)21-25-42(39)51-47(45)37-16-8-7-15-36(37)46(44)50(41)35-22-18-32(19-23-35)40-29-49-26-10-9-17-43(49)48-40/h1-33H;1-29H
InChIKeyGSORWLLYFIRUOF-UHFFFAOYSA-N
MW1411.77 g/mol
LogP27.60
Rot. Bonds9

About 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene

5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene (PubChem CID 158353313) has the molecular formula C100H62N6S2 and a molecular weight of 1411.77 g/mol. Its IUPAC name is 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene.

Molecular Properties

Compound Name5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
PubChem CID158353313
Molecular FormulaC100H62N6S2
Molecular Weight1411.77 g/mol
Exact Mass1410.45
IUPAC Name5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
SMILESc1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6cn7ccccc7n6)cc5)c4c3c2)cc1.c1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3c2)cc1
InChIInChI=1S/C53H33N3S.C47H29N3S/c1-4-14-34(15-5-1)37-26-30-46-43(32-37)49-50-44-33-38(35-16-6-2-7-17-35)27-31-48(44)57-52(50)42-21-11-10-20-41(42)51(49)55(46)40-28-24-36(25-29-40)53-54-45-22-12-13-23-47(45)56(53)39-18-8-3-9-19-39;1-3-11-30(12-4-1)33-20-24-41-38(27-33)44-45-39-28-34(31-13-5-2-6-14-31)21-25-42(39)51-47(45)37-16-8-7-15-36(37)46(44)50(41)35-22-18-32(19-23-35)40-29-49-26-10-9-17-43(49)48-40/h1-33H;1-29H
InChIKeyGSORWLLYFIRUOF-UHFFFAOYSA-N
XLogP27.60
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.77
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene with MolForge

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-7-naphthalen-1-yl-2,11-diphenyl-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-2,7,11-triphenyl-[1]benzothiolo[3,2-c]carbazole;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 160603337
9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 161368437
5,22-diphenyl-18-(4-phenylphenyl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(2,6-dipyridin-2-yl-4-pyridinyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-naphthalen-2-yl-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158499761
4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498900
5,22-diphenyl-18-(4-phenylphenyl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(2,6-dipyridin-2-yl-4-pyridinyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 161046955
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-b]carbazole;7-phenyl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 161320232
1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 118503706
18-phenyl-23-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene
CID 90267687
3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296100
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
2-phenyl-1-[4-(12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]benzimidazole
CID 166885151

Frequently Asked Questions

What is the IUPAC name of 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene?
The IUPAC name of 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene (CID 158353313) is 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene.
What is the SMILES notation for 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene?
The canonical SMILES for 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene is c1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6cn7ccccc7n6)cc5)c4c3c2)cc1.c1ccc(-c2ccc3sc4c5ccccc5c5c(c6cc(-c7ccccc7)ccc6n5-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3c2)cc1.
What is the InChIKey of 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene?
The InChIKey is GSORWLLYFIRUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.C47H29N3S/c1-4-14-34(15-5-1)37-26-30-46-43(32-37)49-50-44-33-38(35-16-6-2-7-17-35)27-31-48(44)57-52(50)42-21-11-10-20-41(42)51(49)55(46)40-28-24-36(25-29-40)53-54-45-22-12-13-23-47(45)56(53)39-18-8-3-9-19-39;1-3-11-30(12-4-1)33-20-24-41-38(27-33)44-45-39-28-34(31-13-5-2-6-14-31)21-25-42(39)51-47(45)37-16-8-7-15-36(37)46(44)50(41)35-22-18-32(19-23-35)40-29-49-26-10-9-17-43(49)48-40/h1-33H;1-29H.
What are the key properties of 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene?
5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene has a molecular weight of 1411.77 g/mol, XLogP of 27.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene is sourced from PubChem (CID 158353313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).