10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene

C47H28N4 — CID 167285160

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene (PubChem CID 167285160) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene.

Molecular Properties

• Compound Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene
• PubChem CID: 167285160
• Molecular Formula: C47H28N4
• Molecular Weight: 648.77 g/mol
• Exact Mass: 648.23
• IUPAC Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene
• SMILES: C1=Cc2c3ccccc3cc3c2c2c4c1cccc4ccc2n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12
• InChI: InChI=1S/C47H28N4/c1-3-12-31(13-4-1)45-48-46(32-14-5-2-6-15-32)50-47(49-45)38-25-27-39(36-21-10-9-20-35(36)38)51-40-26-23-30-18-11-17-29-22-24-37-34-19-8-7-16-33(34)28-41(51)43(37)44(40)42(29)30/h1-28H
• InChIKey: NJHDWKDQRQENEV-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.77
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene?

The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene (CID 167285160) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene.

What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene?

The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene is C1=Cc2c3ccccc3cc3c2c2c4c1cccc4ccc2n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.

What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene?

The InChIKey is NJHDWKDQRQENEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-3-12-31(13-4-1)45-48-46(32-14-5-2-6-15-32)50-47(49-45)38-25-27-39(36-21-10-9-20-35(36)38)51-40-26-23-30-18-11-17-29-22-24-37-34-19-8-7-16-33(34)28-41(51)43(37)44(40)42(29)30/h1-28H.

What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene?

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene has a molecular weight of 648.77 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene is sourced from PubChem (CID 167285160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).