16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C43H30N2 — CID 154975124

About 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 154975124) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 154975124
• Molecular Formula: C43H30N2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.24
• IUPAC Name: 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: C=Cc1ccc2cc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)ccc2c1/C=C\C
• InChI: InChI=1S/C43H30N2/c1-3-12-33-28(4-2)19-20-30-25-32(22-23-34(30)33)45-39-18-11-10-17-36(39)37-26-38-42(27-41(37)45)44(31-14-6-5-7-15-31)40-24-21-29-13-8-9-16-35(29)43(38)40/h3-27H,2H2,1H3/b12-3-
• InChIKey: UYDZZBMEEJVPKM-BASWHVEKSA-N
• XLogP: 11.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 154975124) is 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is C=Cc1ccc2cc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)ccc2c1/C=C\C.

What is the InChIKey of 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is UYDZZBMEEJVPKM-BASWHVEKSA-N. The full InChI is InChI=1S/C43H30N2/c1-3-12-33-28(4-2)19-20-30-25-32(22-23-34(30)33)45-39-18-11-10-17-36(39)37-26-38-42(27-41(37)45)44(31-14-6-5-7-15-31)40-24-21-29-13-8-9-16-35(29)43(38)40/h3-27H,2H2,1H3/b12-3-.

What are the key properties of 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 574.73 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 154975124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).