5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C41H27N3 — CID 140703730

About 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 140703730) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• PubChem CID: 140703730
• Molecular Formula: C41H27N3
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.22
• IUPAC Name: 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• SMILES: c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-n3c(-c4ccncc4)nc4cccc2c43)cc1
• InChI: InChI=1S/C41H27N3/c1-3-12-33(13-4-1)41(34-14-5-2-6-15-34)35-16-9-17-37-39(35)44(40(43-37)29-22-24-42-25-23-29)38-21-20-32(27-36(38)41)31-19-18-28-10-7-8-11-30(28)26-31/h1-27H
• InChIKey: QSBADGCYDOVSLP-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The IUPAC name of 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 140703730) is 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

What is the SMILES notation for 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The canonical SMILES for 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc3-n3c(-c4ccncc4)nc4cccc2c43)cc1.

What is the InChIKey of 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The InChIKey is QSBADGCYDOVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-3-12-33(13-4-1)41(34-14-5-2-6-15-34)35-16-9-17-37-39(35)44(40(43-37)29-22-24-42-25-23-29)38-21-20-32(27-36(38)41)31-19-18-28-10-7-8-11-30(28)26-31/h1-27H.

What are the key properties of 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 561.69 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 140703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).