10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene

C53H35N5 — CID 90135788

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
SMILESc1ccc(-c2cccc(-n3c4cccc5c4c4c(c6c(cc43)c3ccccc3n6-c3cccc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3)CC5)c2)cc1
InChIInChI=1S/C53H35N5/c1-4-15-34(16-5-1)38-22-12-24-40(31-38)57-46-28-14-21-35-29-30-43-49(48(35)46)47(57)33-44-42-26-10-11-27-45(42)58(50(43)44)41-25-13-23-39(32-41)53-55-51(36-17-6-2-7-18-36)54-52(56-53)37-19-8-3-9-20-37/h1-28,31-33H,29-30H2
InChIKeyAAUYWJLRTONAHO-UHFFFAOYSA-N
MW741.90 g/mol
LogP12.83
Rot. Bonds6

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 90135788) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID90135788
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
SMILESc1ccc(-c2cccc(-n3c4cccc5c4c4c(c6c(cc43)c3ccccc3n6-c3cccc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3)CC5)c2)cc1
InChIInChI=1S/C53H35N5/c1-4-15-34(16-5-1)38-22-12-24-40(31-38)57-46-28-14-21-35-29-30-43-49(48(35)46)47(57)33-44-42-26-10-11-27-45(42)58(50(43)44)41-25-13-23-39(32-41)53-55-51(36-17-6-2-7-18-36)54-52(56-53)37-19-8-3-9-20-37/h1-28,31-33H,29-30H2
InChIKeyAAUYWJLRTONAHO-UHFFFAOYSA-N
XLogP12.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene (CID 90135788) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene is c1ccc(-c2cccc(-n3c4cccc5c4c4c(c6c(cc43)c3ccccc3n6-c3cccc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3)CC5)c2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is AAUYWJLRTONAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-4-15-34(16-5-1)38-22-12-24-40(31-38)57-46-28-14-21-35-29-30-43-49(48(35)46)47(57)33-44-42-26-10-11-27-45(42)58(50(43)44)41-25-13-23-39(32-41)53-55-51(36-17-6-2-7-18-36)54-52(56-53)37-19-8-3-9-20-37/h1-28,31-33H,29-30H2.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 741.90 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-(3-phenylphenyl)-10,22-diazahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 90135788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).