22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

C34H25N3S — CID 118602624

IUPAC22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21
InChIInChI=1S/C34H25N3S/c1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3-21H,1-2H3
InChIKeyRCGUNBPYMPCCQF-UHFFFAOYSA-N
MW507.66 g/mol
LogP9.50
Rot. Bonds2

About 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (PubChem CID 118602624) has the molecular formula C34H25N3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.

Molecular Properties

Compound Name22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
PubChem CID118602624
Molecular FormulaC34H25N3S
Molecular Weight507.66 g/mol
Exact Mass507.18
IUPAC Name22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21
InChIInChI=1S/C34H25N3S/c1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3-21H,1-2H3
InChIKeyRCGUNBPYMPCCQF-UHFFFAOYSA-N
XLogP9.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene with MolForge

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Related Compounds

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CID 118539189
23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(9,9-dimethylacridin-10-yl)pyridine-2-carbonitrile
CID 177251510
(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952474
(13,13-dimethyl-5-phenyl-12-pyridin-2-ylindolo[2,3-a]acridin-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140954034
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
N-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-13,13-dimethyl-N-phenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-amine
CID 140754905
14,14-dimethyl-16-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-(4-phenylquinazolin-2-yl)-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-24-phenyl-3-(4-phenylquinazolin-2-yl)-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-(4-phenylquinazolin-2-yl)-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
CID 161072514
3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709626
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
CID 67472194

Frequently Asked Questions

What is the IUPAC name of 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The IUPAC name of 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (CID 118602624) is 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.
What is the SMILES notation for 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The canonical SMILES for 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21.
What is the InChIKey of 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The InChIKey is RCGUNBPYMPCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3S/c1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3-21H,1-2H3.
What are the key properties of 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene has a molecular weight of 507.66 g/mol, XLogP of 9.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is sourced from PubChem (CID 118602624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).