23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C52H34N4O — CID 121446769

IUPAC23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESC=C1/C=C\C=C/COc2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6c(c4)c4ccccc4n6-c4ccc(-c6ccccc6)cc4-c4ccccc4-5)n3)c21
InChIInChI=1S/C52H34N4O/c1-33-16-5-4-14-29-57-47-26-15-24-41(48(33)47)52-54-50(35-19-8-3-9-20-35)53-51(55-52)37-31-43-39-22-11-10-21-38(39)42-30-36(34-17-6-2-7-18-34)27-28-46(42)56-45-25-13-12-23-40(45)44(32-37)49(43)56/h2-28,30-32H,1,29H2/b14-4-,16-5-
InChIKeySETWEGTTYGCQLW-XYFDTUHRSA-N
MW730.87 g/mol
LogP12.80
Rot. Bonds4

About 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121446769) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID121446769
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESC=C1/C=C\C=C/COc2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6c(c4)c4ccccc4n6-c4ccc(-c6ccccc6)cc4-c4ccccc4-5)n3)c21
InChIInChI=1S/C52H34N4O/c1-33-16-5-4-14-29-57-47-26-15-24-41(48(33)47)52-54-50(35-19-8-3-9-20-35)53-51(55-52)37-31-43-39-22-11-10-21-38(39)42-30-36(34-17-6-2-7-18-34)27-28-46(42)56-45-25-13-12-23-40(45)44(32-37)49(43)56/h2-28,30-32H,1,29H2/b14-4-,16-5-
InChIKeySETWEGTTYGCQLW-XYFDTUHRSA-N
XLogP12.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene 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

10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446911
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
10-phenyl-23-[4-[9-[3-(4-phenylphenyl)phenyl]phenanthren-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 145085570
23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446892
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 155232440
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574

Frequently Asked Questions

What is the IUPAC name of 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121446769) is 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is C=C1/C=C\C=C/COc2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6c(c4)c4ccccc4n6-c4ccc(-c6ccccc6)cc4-c4ccccc4-5)n3)c21.
What is the InChIKey of 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is SETWEGTTYGCQLW-XYFDTUHRSA-N. The full InChI is InChI=1S/C52H34N4O/c1-33-16-5-4-14-29-57-47-26-15-24-41(48(33)47)52-54-50(35-19-8-3-9-20-35)53-51(55-52)37-31-43-39-22-11-10-21-38(39)42-30-36(34-17-6-2-7-18-34)27-28-46(42)56-45-25-13-12-23-40(45)44(32-37)49(43)56/h2-28,30-32H,1,29H2/b14-4-,16-5-.
What are the key properties of 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 730.87 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[4-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121446769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).