26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene

C48H32N4O — CID 163596860

IUPAC26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2c4ccccc4oc2c1n3-c1ccccc1
InChIInChI=1S/C48H32N4O/c1-48(2)38-24-14-12-22-32(38)34-28-40-35(27-39(34)48)36-26-37(47-50-45(29-16-6-3-7-17-29)49-46(51-47)30-18-8-4-9-19-30)42-33-23-13-15-25-41(33)53-44(42)43(36)52(40)31-20-10-5-11-21-31/h3-28H,1-2H3
InChIKeyGUEIAACQULAVEW-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.18
Rot. Bonds4

About 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene

26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene (PubChem CID 163596860) has the molecular formula C48H32N4O and a molecular weight of 680.81 g/mol. Its IUPAC name is 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene
PubChem CID163596860
Molecular FormulaC48H32N4O
Molecular Weight680.81 g/mol
Exact Mass680.26
IUPAC Name26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2c4ccccc4oc2c1n3-c1ccccc1
InChIInChI=1S/C48H32N4O/c1-48(2)38-24-14-12-22-32(38)34-28-40-35(27-39(34)48)36-26-37(47-50-45(29-16-6-3-7-17-29)49-46(51-47)30-18-8-4-9-19-30)42-33-23-13-15-25-41(33)53-44(42)43(36)52(40)31-20-10-5-11-21-31/h3-28H,1-2H3
InChIKeyGUEIAACQULAVEW-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-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

15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene
CID 142415987
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155159933
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155158591
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
13,13-dimethyl-17-phenyl-26-oxa-17-azadecacyclo[27.7.1.02,28.03,18.04,16.06,14.07,12.019,27.020,25.033,37]heptatriaconta-1(36),2,4,6(14),7,9,11,15,18,20,22,24,27,29,31,33(37),34-heptadecaene;5,5-dimethyl-15-triphenylen-2-yl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene;15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,5-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene;18,18,30,30-tetramethyl-34-phenyl-9-oxa-34-azanonacyclo[18.14.0.02,10.03,8.011,19.012,17.021,33.023,31.024,29]tetratriaconta-1,3,5,7,10,12,14,16,19,21,23(31),24,26,28,32-pentadecaene
CID 157318569
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132
2-[4-(15,15-dimethyl-26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaen-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166096170
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938

Frequently Asked Questions

What is the IUPAC name of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene?
The IUPAC name of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene (CID 163596860) is 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene.
What is the SMILES notation for 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene?
The canonical SMILES for 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2c4ccccc4oc2c1n3-c1ccccc1.
What is the InChIKey of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene?
The InChIKey is GUEIAACQULAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O/c1-48(2)38-24-14-12-22-32(38)34-28-40-35(27-39(34)48)36-26-37(47-50-45(29-16-6-3-7-17-29)49-46(51-47)30-18-8-4-9-19-30)42-33-23-13-15-25-41(33)53-44(42)43(36)52(40)31-20-10-5-11-21-31/h3-28H,1-2H3.
What are the key properties of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene?
26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene has a molecular weight of 680.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene is sourced from PubChem (CID 163596860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).