10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C48H30N8O — CID 66804998

IUPAC10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C48H30N8O/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-37-26-14-13-25-35(37)36-29-42-40(30-39(36)55)56(38-27-15-16-28-41(38)57-42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30H
InChIKeyOSGMDIBQTAIPAV-UHFFFAOYSA-N
MW734.82 g/mol
LogP11.40
Rot. Bonds6

About 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 66804998) has the molecular formula C48H30N8O and a molecular weight of 734.82 g/mol. Its IUPAC name is 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID66804998
Molecular FormulaC48H30N8O
Molecular Weight734.82 g/mol
Exact Mass734.25
IUPAC Name10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C48H30N8O/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-37-26-14-13-25-35(37)36-29-42-40(30-39(36)55)56(38-27-15-16-28-41(38)57-42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30H
InChIKeyOSGMDIBQTAIPAV-UHFFFAOYSA-N
XLogP11.40
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.82
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

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11-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 66804998) is 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1.
What is the InChIKey of 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is OSGMDIBQTAIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N8O/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-37-26-14-13-25-35(37)36-29-42-40(30-39(36)55)56(38-27-15-16-28-41(38)57-42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34/h1-30H.
What are the key properties of 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 734.82 g/mol, XLogP of 11.40, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 66804998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).