19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene

C80H46N8S2 — CID 129223712

IUPAC19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7ccccc7n6-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c6c7ccccc7n-5c46)cc3)nc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Sc3ccccc3-6)n2)cc1
InChIInChI=1S/C80H46N8S2/c1-2-14-50(15-3-1)60-44-61(84-80(83-60)88-65-23-11-5-17-57(65)75-69(88)46-72-78-77(75)58-18-6-9-21-63(58)86(78)66-24-12-13-25-70(66)89-72)51-28-26-47(27-29-51)52-30-31-67-71(43-52)90-73-45-68-74(76-59-19-7-10-22-64(59)87(67)79(73)76)56-16-4-8-20-62(56)85(68)55-41-53(48-32-36-81-37-33-48)40-54(42-55)49-34-38-82-39-35-49/h1-46H
InChIKeyBCDYVPMQIXQGOM-UHFFFAOYSA-N
MW1183.44 g/mol
LogP20.92
Rot. Bonds7

About 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene

19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene (PubChem CID 129223712) has the molecular formula C80H46N8S2 and a molecular weight of 1183.44 g/mol. Its IUPAC name is 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene.

Molecular Properties

Compound Name19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene
PubChem CID129223712
Molecular FormulaC80H46N8S2
Molecular Weight1183.44 g/mol
Exact Mass1182.33
IUPAC Name19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7ccccc7n6-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c6c7ccccc7n-5c46)cc3)nc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Sc3ccccc3-6)n2)cc1
InChIInChI=1S/C80H46N8S2/c1-2-14-50(15-3-1)60-44-61(84-80(83-60)88-65-23-11-5-17-57(65)75-69(88)46-72-78-77(75)58-18-6-9-21-63(58)86(78)66-24-12-13-25-70(66)89-72)51-28-26-47(27-29-51)52-30-31-67-71(43-52)90-73-45-68-74(76-59-19-7-10-22-64(59)87(67)79(73)76)56-16-4-8-20-62(56)85(68)55-41-53(48-32-36-81-37-33-48)40-54(42-55)49-34-38-82-39-35-49/h1-46H
InChIKeyBCDYVPMQIXQGOM-UHFFFAOYSA-N
XLogP20.92
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.44
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene;ethane
CID 145326883
9-[3-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
21-phenyl-5-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-8-thia-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 176627748
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037518
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenothiazine
CID 134431820
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
10-[2,6-di(carbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenothiazine
CID 135131126

Frequently Asked Questions

What is the IUPAC name of 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene?
The IUPAC name of 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene (CID 129223712) is 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene.
What is the SMILES notation for 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene?
The canonical SMILES for 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Sc4cc6c(c7ccccc7n6-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c6c7ccccc7n-5c46)cc3)nc(-n3c4ccccc4c4c5c6ccccc6n6c5c(cc43)Sc3ccccc3-6)n2)cc1.
What is the InChIKey of 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene?
The InChIKey is BCDYVPMQIXQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H46N8S2/c1-2-14-50(15-3-1)60-44-61(84-80(83-60)88-65-23-11-5-17-57(65)75-69(88)46-72-78-77(75)58-18-6-9-21-63(58)86(78)66-24-12-13-25-70(66)89-72)51-28-26-47(27-29-51)52-30-31-67-71(43-52)90-73-45-68-74(76-59-19-7-10-22-64(59)87(67)79(73)76)56-16-4-8-20-62(56)85(68)55-41-53(48-32-36-81-37-33-48)40-54(42-55)49-34-38-82-39-35-49/h1-46H.
What are the key properties of 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene?
19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene has a molecular weight of 1183.44 g/mol, XLogP of 20.92, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(3,5-dipyridin-4-ylphenyl)-12-[4-[6-phenyl-2-(15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaen-19-yl)pyrimidin-4-yl]phenyl]-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,20,22,24-dodecaene is sourced from PubChem (CID 129223712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).