(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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

C44H33N3S — CID 145326964

IUPAC(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1ccccc1.Cn1c2ccccc2c2c3c4ccccc4n4c3c(cc21)Sc1ccccc1-4
InChIInChI=1S/C25H16N2S.C19H17N/c1-26-17-10-4-2-8-15(17)23-20(26)14-22-25-24(23)16-9-3-5-11-18(16)27(25)19-12-6-7-13-21(19)28-22;1-16-10-4-2-5-11-17-12-8-9-15-19(17)20(16)18-13-6-3-7-14-18/h2-14H,1H3;2-10,12-15H,1,11H2/b;5-2-,10-4-
InChIKeyTUAWXANOPQXUCP-YUMUFXSVSA-N
MW635.84 g/mol
LogP11.90
Rot. Bonds1

About (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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

(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 (PubChem CID 145326964) has the molecular formula C44H33N3S and a molecular weight of 635.84 g/mol. Its IUPAC name is (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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.

Molecular Properties

Compound Name(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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
PubChem CID145326964
Molecular FormulaC44H33N3S
Molecular Weight635.84 g/mol
Exact Mass635.24
IUPAC Name(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1ccccc1.Cn1c2ccccc2c2c3c4ccccc4n4c3c(cc21)Sc1ccccc1-4
InChIInChI=1S/C25H16N2S.C19H17N/c1-26-17-10-4-2-8-15(17)23-20(26)14-22-25-24(23)16-9-3-5-11-18(16)27(25)19-12-6-7-13-21(19)28-22;1-16-10-4-2-5-11-17-12-8-9-15-19(17)20(16)18-13-6-3-7-14-18/h2-14H,1H3;2-10,12-15H,1,11H2/b;5-2-,10-4-
InChIKeyTUAWXANOPQXUCP-YUMUFXSVSA-N
XLogP11.90
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.84
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 with MolForge

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Related Compounds

19-methyl-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
CID 145326965
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
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
N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170132462
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
CID 89152469
(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine
CID 155420462
3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 161232958
10-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenothiazine;3-carbazol-9-yl-10-methylphenothiazine;3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;3,7-di(carbazol-9-yl)-10-methylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;10-(9-methylcarbazol-3-yl)phenothiazine;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;10-(9-methyl-6-phenothiazin-10-ylcarbazol-3-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 159798260
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
CID 118315382
10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine
CID 118504657
19-[3-[3-[(2E)-penta-2,4-dien-2-yl]-5-[(3Z)-penta-1,3-dien-2-yl]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
CID 145326937

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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?
The IUPAC name of (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 (CID 145326964) is (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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.
What is the SMILES notation for (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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?
The canonical SMILES for (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 is C=C1/C=C\C=C/Cc2ccccc2N1c1ccccc1.Cn1c2ccccc2c2c3c4ccccc4n4c3c(cc21)Sc1ccccc1-4.
What is the InChIKey of (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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?
The InChIKey is TUAWXANOPQXUCP-YUMUFXSVSA-N. The full InChI is InChI=1S/C25H16N2S.C19H17N/c1-26-17-10-4-2-8-15(17)23-20(26)14-22-25-24(23)16-9-3-5-11-18(16)27(25)19-12-6-7-13-21(19)28-22;1-16-10-4-2-5-11-17-12-8-9-15-19(17)20(16)18-13-6-3-7-14-18/h2-14H,1H3;2-10,12-15H,1,11H2/b;5-2-,10-4-.
What are the key properties of (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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?
(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 has a molecular weight of 635.84 g/mol, XLogP of 11.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-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 is sourced from PubChem (CID 145326964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).