6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene

C45H27N3 — CID 149140299

About 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene

6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 149140299) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene
• PubChem CID: 149140299
• Molecular Formula: C45H27N3
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.22
• IUPAC Name: 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene
• SMILES: c1ccc2cc(-c3ccc4c(c3)nc3c5c(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5c5ccccc5n43)ccc2c1
• InChI: InChI=1S/C45H27N3/c1-3-12-31-25-33(19-17-28(31)9-1)34-22-24-39-38(27-34)46-45-44-42(35-20-18-29-10-2-4-13-32(29)26-35)37-23-21-30-11-5-6-14-36(30)43(37)48(44)41-16-8-7-15-40(41)47(39)45/h1-27H
• InChIKey: RHPYSGRCKPJXIB-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 21.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The IUPAC name of 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene (CID 149140299) is 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene.

What is the SMILES notation for 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The canonical SMILES for 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene is c1ccc2cc(-c3ccc4c(c3)nc3c5c(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5c5ccccc5n43)ccc2c1.

What is the InChIKey of 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The InChIKey is RHPYSGRCKPJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-3-12-31-25-33(19-17-28(31)9-1)34-22-24-39-38(27-34)46-45-44-42(35-20-18-29-10-2-4-13-32(29)26-35)37-23-21-30-11-5-6-14-36(30)43(37)48(44)41-16-8-7-15-40(41)47(39)45/h1-27H.

What are the key properties of 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene?

6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 609.73 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,28-dinaphthalen-2-yl-3,10,17-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(28),2,4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 149140299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).