12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine

C72H49N3 — CID 154593358

About 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine

12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine (PubChem CID 154593358) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine.

Molecular Properties

• Compound Name: 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine
• PubChem CID: 154593358
• Molecular Formula: C72H49N3
• Molecular Weight: 956.21 g/mol
• Exact Mass: 955.39
• IUPAC Name: 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5c(c4c3)c3c4c(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cccc4ccc3n5-c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
• InChI: InChI=1S/C72H49N3/c1-5-17-50(18-6-1)53-33-40-62(41-34-53)73(60-25-9-3-10-26-60)65-44-37-55-38-45-68-71(66(55)49-65)72-69(75(68)64-29-15-24-58(48-64)59-32-31-52-21-13-14-22-57(52)47-59)46-39-56-23-16-30-67(70(56)72)74(61-27-11-4-12-28-61)63-42-35-54(36-43-63)51-19-7-2-8-20-51/h1-49H
• InChIKey: QYVANLKLHDMNAH-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.21
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine?

The IUPAC name of 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine (CID 154593358) is 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine.

What is the SMILES notation for 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine?

The canonical SMILES for 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5c(c4c3)c3c4c(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cccc4ccc3n5-c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.

What is the InChIKey of 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine?

The InChIKey is QYVANLKLHDMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-5-17-50(18-6-1)53-33-40-62(41-34-53)73(60-25-9-3-10-26-60)65-44-37-55-38-45-68-71(66(55)49-65)72-69(75(68)64-29-15-24-58(48-64)59-32-31-52-21-13-14-22-57(52)47-59)46-39-56-23-16-30-67(70(56)72)74(61-27-11-4-12-28-61)63-42-35-54(36-43-63)51-19-7-2-8-20-51/h1-49H.

What are the key properties of 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine?

12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine has a molecular weight of 956.21 g/mol, XLogP of 20.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3-naphthalen-2-ylphenyl)-4-N,19-N-diphenyl-4-N,19-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-4,19-diamine is sourced from PubChem (CID 154593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).