6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C75H52N6O — CID 153304508

IUPAC6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESC1=CC(c2cc(-c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5C5=CCCC=C5)c4n(-c4ccccc4)c23)=CCC1
InChIInChI=1S/C75H52N6O/c1-6-22-47(23-7-1)60-44-51(75-77-73(49-26-10-3-11-27-49)76-74(78-75)50-38-39-55-54-32-18-21-37-66(54)82-67(55)46-50)45-61(48-24-8-2-9-25-48)70(60)81-63-36-20-17-34-59(63)69-65(81)43-41-57-56-40-42-64-68(71(56)80(72(57)69)53-30-14-5-15-31-53)58-33-16-19-35-62(58)79(64)52-28-12-4-13-29-52/h1,3,5-8,10-12,14-38,40-46,55H,2,4,9,13,39H2
InChIKeyQJQRDFKGGBLSOD-UHFFFAOYSA-N
MW1053.28 g/mol
LogP18.95
Rot. Bonds8

About 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 153304508) has the molecular formula C75H52N6O and a molecular weight of 1053.28 g/mol. Its IUPAC name is 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID153304508
Molecular FormulaC75H52N6O
Molecular Weight1053.28 g/mol
Exact Mass1052.42
IUPAC Name6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESC1=CC(c2cc(-c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5C5=CCCC=C5)c4n(-c4ccccc4)c23)=CCC1
InChIInChI=1S/C75H52N6O/c1-6-22-47(23-7-1)60-44-51(75-77-73(49-26-10-3-11-27-49)76-74(78-75)50-38-39-55-54-32-18-21-37-66(54)82-67(55)46-50)45-61(48-24-8-2-9-25-48)70(60)81-63-36-20-17-34-59(63)69-65(81)43-41-57-56-40-42-64-68(71(56)80(72(57)69)53-30-14-5-15-31-53)58-33-16-19-35-62(58)79(64)52-28-12-4-13-29-52/h1,3,5-8,10-12,14-38,40-46,55H,2,4,9,13,39H2
InChIKeyQJQRDFKGGBLSOD-UHFFFAOYSA-N
XLogP18.95
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.28
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

6-[2-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 168748196
3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170131109
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 146280994
12-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280424
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280664
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 168748033
12-[2-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-cyclohexa-2,4-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-7-phenylindolo[2,3-b]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 165070752
12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 153304508) is 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is C1=CC(c2cc(-c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c2ccc2c4ccc5c(c6ccccc6n5C5=CCCC=C5)c4n(-c4ccccc4)c23)=CCC1.
What is the InChIKey of 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The InChIKey is QJQRDFKGGBLSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N6O/c1-6-22-47(23-7-1)60-44-51(75-77-73(49-26-10-3-11-27-49)76-74(78-75)50-38-39-55-54-32-18-21-37-66(54)82-67(55)46-50)45-61(48-24-8-2-9-25-48)70(60)81-63-36-20-17-34-59(63)69-65(81)43-41-57-56-40-42-64-68(71(56)80(72(57)69)53-30-14-5-15-31-53)58-33-16-19-35-62(58)79(64)52-28-12-4-13-29-52/h1,3,5-8,10-12,14-38,40-46,55H,2,4,9,13,39H2.
What are the key properties of 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 1053.28 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 153304508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).