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

C46H33N5 — CID 66804825

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C2=CC=CC=C2N(C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C
InChIInChI=1S/C46H33N5/c1-46(2)36-24-12-14-26-40(36)50(38-27-15-21-30-16-9-10-22-33(30)38)42-28-35-34-23-11-13-25-39(34)51(41(35)29-37(42)46)45-48-43(31-17-5-3-6-18-31)47-44(49-45)32-19-7-4-8-20-32/h3-29H,1-2H3
InChIKeyMANFPMOYWJQWQX-UHFFFAOYSA-N
MW655.80 g/mol
LogP12.10
Rot. Bonds4

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

10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 66804825) has the molecular formula C46H33N5 and a molecular weight of 655.80 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID66804825
Molecular FormulaC46H33N5
Molecular Weight655.80 g/mol
Exact Mass655.27
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C2=CC=CC=C2N(C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C
InChIInChI=1S/C46H33N5/c1-46(2)36-24-12-14-26-40(36)50(38-27-15-21-30-16-9-10-22-33(30)38)42-28-35-34-23-11-13-25-39(34)51(41(35)29-37(42)46)45-48-43(31-17-5-3-6-18-31)47-44(49-45)32-19-7-4-8-20-32/h3-29H,1-2H3
InChIKeyMANFPMOYWJQWQX-UHFFFAOYSA-N
XLogP12.10
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity1150

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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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Frequently Asked Questions

What is the IUPAC name of 10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 66804825) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C2=CC=CC=C2N(C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C.
What is the InChIKey of 10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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 MANFPMOYWJQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-46(2)36-24-12-14-26-40(36)50(38-27-15-21-30-16-9-10-22-33(30)38)42-28-35-34-23-11-13-25-39(34)51(41(35)29-37(42)46)45-48-43(31-17-5-3-6-18-31)47-44(49-45)32-19-7-4-8-20-32/h3-29H,1-2H3.
What are the key properties of 10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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 655.80 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-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 66804825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).