15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene

C38H26N2S2 — CID 134176079

IUPAC15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2ccc4c(c21)Sc1ccccc1S4)c1ccccc1n3-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C38H26N2S2/c1-38(2)29-21-32-28(20-27(29)26-17-19-35-37(36(26)38)42-34-15-9-8-14-33(34)41-35)25-12-6-7-13-31(25)40(32)24-16-18-30(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeyWKFULZLGJPCKGR-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.77
Rot. Bonds2

About 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene

15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene (PubChem CID 134176079) has the molecular formula C38H26N2S2 and a molecular weight of 574.77 g/mol. Its IUPAC name is 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
PubChem CID134176079
Molecular FormulaC38H26N2S2
Molecular Weight574.77 g/mol
Exact Mass574.15
IUPAC Name15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2ccc4c(c21)Sc1ccccc1S4)c1ccccc1n3-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C38H26N2S2/c1-38(2)29-21-32-28(20-27(29)26-17-19-35-37(36(26)38)42-34-15-9-8-14-33(34)41-35)25-12-6-7-13-31(25)40(32)24-16-18-30(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeyWKFULZLGJPCKGR-UHFFFAOYSA-N
XLogP10.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

15,15-dimethyl-11-(3-triphenylen-2-ylphenyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
CID 134176068
3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 145441726
11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 134175966
3-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]-9-phenylcarbazole
CID 134175822
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-18,25-dithia-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
CID 134175955
11,11-dimethyl-15-(9-phenylcarbazol-3-yl)-18,25-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2,4(12),5,7,9,13,17(26),19,21,23,27-dodecaene
CID 134175779
15,15-dimethyl-24-phenyl-11-(4-phenylphenyl)-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 166002311
15,15-dimethyl-11-(3-triphenylen-2-ylphenyl)-19,26-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2(14),3,5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145441962
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
2-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 134176006
28-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22,24,26,29-pentadecaene
CID 118260515
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene?
The IUPAC name of 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene (CID 134176079) is 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene.
What is the SMILES notation for 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene?
The canonical SMILES for 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene is CC1(C)c2cc3c(cc2-c2ccc4c(c21)Sc1ccccc1S4)c1ccccc1n3-c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene?
The InChIKey is WKFULZLGJPCKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2S2/c1-38(2)29-21-32-28(20-27(29)26-17-19-35-37(36(26)38)42-34-15-9-8-14-33(34)41-35)25-12-6-7-13-31(25)40(32)24-16-18-30(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3.
What are the key properties of 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene?
15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene has a molecular weight of 574.77 g/mol, XLogP of 10.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene is sourced from PubChem (CID 134176079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).