10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

C47H26N4O2 — CID 135166078

IUPAC10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c(ccc43)oc3c4ccccc4c4ccccc4c35)n2)cc1
InChIInChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)45-48-46(28-22-23-32-31-16-9-11-21-38(31)52-40(32)26-28)50-47(49-45)51-36-20-10-8-19-35(36)41-37(51)24-25-39-43(41)42-33-17-6-4-14-29(33)30-15-5-7-18-34(30)44(42)53-39/h1-26H
InChIKeyXZOZYKVGNRWYPK-UHFFFAOYSA-N
MW678.75 g/mol
LogP12.41
Rot. Bonds3

About 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (PubChem CID 135166078) has the molecular formula C47H26N4O2 and a molecular weight of 678.75 g/mol. Its IUPAC name is 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
PubChem CID135166078
Molecular FormulaC47H26N4O2
Molecular Weight678.75 g/mol
Exact Mass678.21
IUPAC Name10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c(ccc43)oc3c4ccccc4c4ccccc4c35)n2)cc1
InChIInChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)45-48-46(28-22-23-32-31-16-9-11-21-38(31)52-40(32)26-28)50-47(49-45)51-36-20-10-8-19-35(36)41-37(51)24-25-39-43(41)42-33-17-6-4-14-29(33)30-15-5-7-18-34(30)44(42)53-39/h1-26H
InChIKeyXZOZYKVGNRWYPK-UHFFFAOYSA-N
XLogP12.41
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.75
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-triphenylen-2-yl-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
CID 135166098
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166022
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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
CID 169014536
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
14-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-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
CID 176837448
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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
CID 169015013
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
5-[4-(3-phenylphenyl)phenyl]-10-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163650923
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142369
5-phenyl-10-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 163942946
5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163599158

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?
The IUPAC name of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (CID 135166078) is 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c(ccc43)oc3c4ccccc4c4ccccc4c35)n2)cc1.
What is the InChIKey of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?
The InChIKey is XZOZYKVGNRWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)45-48-46(28-22-23-32-31-16-9-11-21-38(31)52-40(32)26-28)50-47(49-45)51-36-20-10-8-19-35(36)41-37(51)24-25-39-43(41)42-33-17-6-4-14-29(33)30-15-5-7-18-34(30)44(42)53-39/h1-26H.
What are the key properties of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene has a molecular weight of 678.75 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 135166078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).