14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C75H52N4O — CID 89432863

IUPAC14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1cccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7ccccc67)c5)cc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)nc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)c1
InChIInChI=1S/C75H52N4O/c1-47-18-12-28-55(38-47)72-76-73(78-74(77-72)79-68-36-10-11-37-70(68)80-71-45-65-64-32-8-9-35-66(64)75(2,3)67(65)46-69(71)79)56-29-15-25-52(41-56)59-43-57(50-23-13-26-53(39-50)62-33-16-21-48-19-4-6-30-60(48)62)42-58(44-59)51-24-14-27-54(40-51)63-34-17-22-49-20-5-7-31-61(49)63/h4-46H,1-3H3
InChIKeyQQLGJLOETQMAON-UHFFFAOYSA-N
MW1025.27 g/mol
LogP20.04
Rot. Bonds8

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

14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 89432863) has the molecular formula C75H52N4O and a molecular weight of 1025.27 g/mol. Its IUPAC name is 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID89432863
Molecular FormulaC75H52N4O
Molecular Weight1025.27 g/mol
Exact Mass1024.41
IUPAC Name14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1cccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7ccccc67)c5)cc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)nc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)c1
InChIInChI=1S/C75H52N4O/c1-47-18-12-28-55(38-47)72-76-73(78-74(77-72)79-68-36-10-11-37-70(68)80-71-45-65-64-32-8-9-35-66(64)75(2,3)67(65)46-69(71)79)56-29-15-25-52(41-56)59-43-57(50-23-13-26-53(39-50)62-33-16-21-48-19-4-6-30-60(48)62)42-58(44-59)51-24-14-27-54(40-51)63-34-17-22-49-20-5-7-31-61(49)63/h4-46H,1-3H3
InChIKeyQQLGJLOETQMAON-UHFFFAOYSA-N
XLogP20.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.27
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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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Frequently Asked Questions

What is the IUPAC name of 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 89432863) is 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1cccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-c6cccc7ccccc67)c5)cc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)nc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)c1.
What is the InChIKey of 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is QQLGJLOETQMAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N4O/c1-47-18-12-28-55(38-47)72-76-73(78-74(77-72)79-68-36-10-11-37-70(68)80-71-45-65-64-32-8-9-35-66(64)75(2,3)67(65)46-69(71)79)56-29-15-25-52(41-56)59-43-57(50-23-13-26-53(39-50)62-33-16-21-48-19-4-6-30-60(48)62)42-58(44-59)51-24-14-27-54(40-51)63-34-17-22-49-20-5-7-31-61(49)63/h4-46H,1-3H3.
What are the key properties of 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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 1025.27 g/mol, XLogP of 20.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[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 89432863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).