6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene

C54H36N4O — CID 163421079

IUPAC6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5oc6c(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cccc6c5ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C54H36N4O/c1-54(2)44-27-13-12-24-39(44)40-28-29-43-46-45(58(48(43)47(40)54)37-22-10-5-11-23-37)31-30-42-41-26-15-25-38(49(41)59-50(42)46)35-20-14-21-36(32-35)53-56-51(33-16-6-3-7-17-33)55-52(57-53)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeyAIMXBJCGKQBSHC-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene (PubChem CID 163421079) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene
PubChem CID163421079
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5oc6c(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cccc6c5ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C54H36N4O/c1-54(2)44-27-13-12-24-39(44)40-28-29-43-46-45(58(48(43)47(40)54)37-22-10-5-11-23-37)31-30-42-41-26-15-25-38(49(41)59-50(42)46)35-20-14-21-36(32-35)53-56-51(33-16-6-3-7-17-33)55-52(57-53)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeyAIMXBJCGKQBSHC-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

15-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 163892460
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;4-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 161328818
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
5-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;4-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-9-phenylcarbazole;5-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158108867
2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 130232482

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene (CID 163421079) is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene is CC1(C)c2ccccc2-c2ccc3c4c5oc6c(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cccc6c5ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene?
The InChIKey is AIMXBJCGKQBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)44-27-13-12-24-39(44)40-28-29-43-46-45(58(48(43)47(40)54)37-22-10-5-11-23-37)31-30-42-41-26-15-25-38(49(41)59-50(42)46)35-20-14-21-36(32-35)53-56-51(33-16-6-3-7-17-33)55-52(57-53)34-18-8-4-9-19-34/h3-32H,1-2H3.
What are the key properties of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene?
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 163421079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).