25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene

C47H33N3S — CID 164837282

IUPAC25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2c1c1ccccc1c1c2sc2ccccc21
InChIInChI=1S/C47H33N3S/c1-47(2)37-22-12-13-23-40(37)50(44-43(47)35-20-10-9-19-34(35)42-36-21-11-14-24-41(36)51-45(42)44)33-27-25-32(26-28-33)46-48-38(30-15-5-3-6-16-30)29-39(49-46)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyIDANQCUHLWRXHY-UHFFFAOYSA-N
MW671.87 g/mol
LogP13.11
Rot. Bonds4

About 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene

25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene (PubChem CID 164837282) has the molecular formula C47H33N3S and a molecular weight of 671.87 g/mol. Its IUPAC name is 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
PubChem CID164837282
Molecular FormulaC47H33N3S
Molecular Weight671.87 g/mol
Exact Mass671.24
IUPAC Name25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2c1c1ccccc1c1c2sc2ccccc21
InChIInChI=1S/C47H33N3S/c1-47(2)37-22-12-13-23-40(37)50(44-43(47)35-20-10-9-19-34(35)42-36-21-11-14-24-41(36)51-45(42)44)33-27-25-32(26-28-33)46-48-38(30-15-5-3-6-16-30)29-39(49-46)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyIDANQCUHLWRXHY-UHFFFAOYSA-N
XLogP13.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.87
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene 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

25-(2,6-diphenylpyrimidin-4-yl)-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837214
18,18-dimethyl-25-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837284
25-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-18,18-dimethyl-3-oxa-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837103
18,18-dimethyl-25-(4-pyridin-2-ylphenanthro[9,10-d]pyrimidin-2-yl)-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837191
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297
4-dibenzothiophen-1-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794688
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163617081
6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163985838
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 155790918

Frequently Asked Questions

What is the IUPAC name of 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene?
The IUPAC name of 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene (CID 164837282) is 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene?
The canonical SMILES for 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2c1c1ccccc1c1c2sc2ccccc21.
What is the InChIKey of 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene?
The InChIKey is IDANQCUHLWRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3S/c1-47(2)37-22-12-13-23-40(37)50(44-43(47)35-20-10-9-19-34(35)42-36-21-11-14-24-41(36)51-45(42)44)33-27-25-32(26-28-33)46-48-38(30-15-5-3-6-16-30)29-39(49-46)31-17-7-4-8-18-31/h3-29H,1-2H3.
What are the key properties of 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene?
25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene has a molecular weight of 671.87 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 164837282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).