11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene

C135H83N7S3 — CID 158372388

IUPAC11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5c6ccc7c8ccccc8sc7c6n(-c6ccccc6)c5cc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3cc(-c4ccc5ccccc5c4)ccc3c3cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C47H29N3S.C46H28N2S.C42H26N2S/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-26-42-37(27-31)39-28-38-35-24-25-36-34-19-10-11-22-45(34)51-47(36)46(35)50(33-17-8-3-9-18-33)44(38)29-43(39)49(42)32-15-6-2-7-16-32;1-3-13-33(14-4-1)47-41-26-32(31-20-19-29-11-7-8-12-30(29)25-31)21-22-35(41)39-27-40-37-23-24-38-36-17-9-10-18-44(36)49-46(38)45(37)48(43(40)28-42(39)47)34-15-5-2-6-16-34;1-4-12-27(13-5-1)28-20-23-37-34(24-28)36-25-35-32-21-22-33-31-18-10-11-19-40(31)45-42(33)41(32)44(30-16-8-3-9-17-30)39(35)26-38(36)43(37)29-14-6-2-7-15-29/h1-29H;1-28H;1-26H
InChIKeyGUTRYCNAKWVRDL-UHFFFAOYSA-N
MW1899.40 g/mol
LogP37.96
Rot. Bonds10

About 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene

11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene (PubChem CID 158372388) has the molecular formula C135H83N7S3 and a molecular weight of 1899.40 g/mol. Its IUPAC name is 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene
PubChem CID158372388
Molecular FormulaC135H83N7S3
Molecular Weight1899.40 g/mol
Exact Mass1897.59
IUPAC Name11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5c6ccc7c8ccccc8sc7c6n(-c6ccccc6)c5cc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3cc(-c4ccc5ccccc5c4)ccc3c3cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C47H29N3S.C46H28N2S.C42H26N2S/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-26-42-37(27-31)39-28-38-35-24-25-36-34-19-10-11-22-45(34)51-47(36)46(35)50(33-17-8-3-9-18-33)44(38)29-43(39)49(42)32-15-6-2-7-16-32;1-3-13-33(14-4-1)47-41-26-32(31-20-19-29-11-7-8-12-30(29)25-31)21-22-35(41)39-27-40-37-23-24-38-36-17-9-10-18-44(36)49-46(38)45(37)48(43(40)28-42(39)47)34-15-5-2-6-16-34;1-4-12-27(13-5-1)28-20-23-37-34(24-28)36-25-35-32-21-22-33-31-18-10-11-19-40(31)45-42(33)41(32)44(30-16-8-3-9-17-30)39(35)26-38(36)43(37)29-14-6-2-7-15-29/h1-29H;1-28H;1-26H
InChIKeyGUTRYCNAKWVRDL-UHFFFAOYSA-N
XLogP37.96
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001899.40
LogP ≤ 537.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

11-(4-naphthalen-2-ylphenyl)-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-2-yl-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 158473976
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
15-phenyl-11-[4-(4-phenylquinolin-2-yl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118546087
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 118508713
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
2-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-[6-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]carbazole
CID 158777539
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828

Frequently Asked Questions

What is the IUPAC name of 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene (CID 158372388) is 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene is c1ccc(-c2ccc3c(c2)c2cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5c6ccc7c8ccccc8sc7c6n(-c6ccccc6)c5cc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3cc(-c4ccc5ccccc5c4)ccc3c3cc4c5ccc6c7ccccc7sc6c5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene?
The InChIKey is GUTRYCNAKWVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S.C46H28N2S.C42H26N2S/c1-4-13-30(14-5-1)40-20-12-21-41(48-40)31-23-26-42-37(27-31)39-28-38-35-24-25-36-34-19-10-11-22-45(34)51-47(36)46(35)50(33-17-8-3-9-18-33)44(38)29-43(39)49(42)32-15-6-2-7-16-32;1-3-13-33(14-4-1)47-41-26-32(31-20-19-29-11-7-8-12-30(29)25-31)21-22-35(41)39-27-40-37-23-24-38-36-17-9-10-18-44(36)49-46(38)45(37)48(43(40)28-42(39)47)34-15-5-2-6-16-34;1-4-12-27(13-5-1)28-20-23-37-34(24-28)36-25-35-32-21-22-33-31-18-10-11-19-40(31)45-42(33)41(32)44(30-16-8-3-9-17-30)39(35)26-38(36)43(37)29-14-6-2-7-15-29/h1-29H;1-28H;1-26H.
What are the key properties of 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene?
11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene has a molecular weight of 1899.40 g/mol, XLogP of 37.96, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 158372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).