17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane

C73H84F3N5S2 — CID 174033961

IUPAC17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
SMILESFC(F)(F)C1CCC2C(C1)SC1CCCC3C4CCC(C5CCCC6C5SC5CCCC7C8CCCC9C(c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)CCC(C98)N6C57)C5CCCC(C54)N2C13
InChIInChI=1S/C73H84F3N5S2/c74-73(75,76)44-31-36-59-65(39-44)82-63-28-12-23-53-51-33-32-46(49-21-10-26-60(68(49)51)80(59)69(53)63)54-24-11-27-62-71(54)83-64-29-13-22-52-50-20-9-19-48-45(34-37-61(67(48)50)81(62)70(52)64)43-30-35-58-55(38-43)47-18-7-8-25-57(47)79(58)66-40-56(41-14-3-1-4-15-41)77-72(78-66)42-16-5-2-6-17-42/h1-8,14-18,25,30,35,38,40,44-46,48-54,59-65,67-71H,9-13,19-24,26-29,31-34,36-37,39H2
InChIKeyROFJYRFEHQGGLM-UHFFFAOYSA-N
MW1152.64 g/mol
LogP17.83
Rot. Bonds5

About 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane

17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane (PubChem CID 174033961) has the molecular formula C73H84F3N5S2 and a molecular weight of 1152.64 g/mol. Its IUPAC name is 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane.

Molecular Properties

Compound Name17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
PubChem CID174033961
Molecular FormulaC73H84F3N5S2
Molecular Weight1152.64 g/mol
Exact Mass1151.61
IUPAC Name17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
SMILESFC(F)(F)C1CCC2C(C1)SC1CCCC3C4CCC(C5CCCC6C5SC5CCCC7C8CCCC9C(c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)CCC(C98)N6C57)C5CCCC(C54)N2C13
InChIInChI=1S/C73H84F3N5S2/c74-73(75,76)44-31-36-59-65(39-44)82-63-28-12-23-53-51-33-32-46(49-21-10-26-60(68(49)51)80(59)69(53)63)54-24-11-27-62-71(54)83-64-29-13-22-52-50-20-9-19-48-45(34-37-61(67(48)50)81(62)70(52)64)43-30-35-58-55(38-43)47-18-7-8-25-57(47)79(58)66-40-56(41-14-3-1-4-15-41)77-72(78-66)42-16-5-2-6-17-42/h1-8,14-18,25,30,35,38,40,44-46,48-54,59-65,67-71H,9-13,19-24,26-29,31-34,36-37,39H2
InChIKeyROFJYRFEHQGGLM-UHFFFAOYSA-N
XLogP17.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.64
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane 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

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
CID 174033968
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]boronic acid
CID 140873197
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161375689
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]
CID 162503276
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362

Frequently Asked Questions

What is the IUPAC name of 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The IUPAC name of 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane (CID 174033961) is 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane.
What is the SMILES notation for 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The canonical SMILES for 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane is FC(F)(F)C1CCC2C(C1)SC1CCCC3C4CCC(C5CCCC6C5SC5CCCC7C8CCCC9C(c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)CCC(C98)N6C57)C5CCCC(C54)N2C13.
What is the InChIKey of 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The InChIKey is ROFJYRFEHQGGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H84F3N5S2/c74-73(75,76)44-31-36-59-65(39-44)82-63-28-12-23-53-51-33-32-46(49-21-10-26-60(68(49)51)80(59)69(53)63)54-24-11-27-62-71(54)83-64-29-13-22-52-50-20-9-19-48-45(34-37-61(67(48)50)81(62)70(52)64)43-30-35-58-55(38-43)47-18-7-8-25-57(47)79(58)66-40-56(41-14-3-1-4-15-41)77-72(78-66)42-16-5-2-6-17-42/h1-8,14-18,25,30,35,38,40,44-46,48-54,59-65,67-71H,9-13,19-24,26-29,31-34,36-37,39H2.
What are the key properties of 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane has a molecular weight of 1152.64 g/mol, XLogP of 17.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[19-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosan-6-yl]-5-(trifluoromethyl)-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane is sourced from PubChem (CID 174033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).