7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

C52H36N4 — CID 118652913

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H36N4/c1-52(2)43-25-15-14-24-41(43)45-39-22-12-13-23-40(39)46-42-32-37(51-54-49(35-18-8-4-9-19-35)53-50(55-51)36-20-10-5-11-21-36)28-31-44(42)56(48(46)47(45)52)38-29-26-34(27-30-38)33-16-6-3-7-17-33/h3-32H,1-2H3
InChIKeyWIAFOXFODYXPIE-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.10
Rot. Bonds5

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (PubChem CID 118652913) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
PubChem CID118652913
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H36N4/c1-52(2)43-25-15-14-24-41(43)45-39-22-12-13-23-40(39)46-42-32-37(51-54-49(35-18-8-4-9-19-35)53-50(55-51)36-20-10-5-11-21-36)28-31-44(42)56(48(46)47(45)52)38-29-26-34(27-30-38)33-16-6-3-7-17-33/h3-32H,1-2H3
InChIKeyWIAFOXFODYXPIE-UHFFFAOYSA-N
XLogP13.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

24,24-dimethyl-3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593145
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488652
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635809
24,24-dimethyl-3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 146741205
24,24-dimethyl-3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593238
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,18-dimethyl-21-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635681
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 158552177
18-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21,21-dimethyl-9-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635840
9,9,21,21-tetramethyl-18-(4-phenylphenyl)-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635504
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635822
18-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635510
18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635513

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (CID 118652913) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The InChIKey is WIAFOXFODYXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-52(2)43-25-15-14-24-41(43)45-39-22-12-13-23-40(39)46-42-32-37(51-54-49(35-18-8-4-9-19-35)53-50(55-51)36-20-10-5-11-21-36)28-31-44(42)56(48(46)47(45)52)38-29-26-34(27-30-38)33-16-6-3-7-17-33/h3-32H,1-2H3.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene has a molecular weight of 716.89 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118652913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).