11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene

C135H75N9O6 — CID 157394660

About 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene

11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene (PubChem CID 157394660) has the molecular formula C135H75N9O6 and a molecular weight of 1919.14 g/mol. Its IUPAC name is 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene
• PubChem CID: 157394660
• Molecular Formula: C135H75N9O6
• Molecular Weight: 1919.14 g/mol
• Exact Mass: 1917.58
• IUPAC Name: 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene
• SMILES: [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)c3)ccc1n2-c1ccccc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)c3)c2)c1
• InChI: InChI=1S/2C46H25N3O2.C43H25N3O2/c1-47-30-19-21-40-35(24-30)34-23-28(18-20-39(34)49(40)31-12-3-2-4-13-31)27-10-9-11-29(22-27)45-44-33-15-6-8-17-42(33)51-46(44)37-26-43-36(25-38(37)48-45)32-14-5-7-16-41(32)50-43;1-47-30-20-22-40-35(24-30)34-23-29(19-21-39(34)49(40)31-9-3-2-4-10-31)27-15-17-28(18-16-27)45-44-33-12-6-8-14-42(33)51-46(44)37-26-43-36(25-38(37)48-45)32-11-5-7-13-41(32)50-43;1-3-14-38-33(12-1)35-22-37-36(23-40(35)47-38)43-41(34-13-2-4-15-39(34)48-43)42(46-37)27-9-5-8-26(18-27)30-19-31(28-10-6-16-44-24-28)21-32(20-30)29-11-7-17-45-25-29/h2*2-26H;1-25H
• InChIKey: BMKRFRLEPOXZRI-UHFFFAOYSA-N
• XLogP: 37.52
• TPSA: 161.87 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.14
LogP ≤ 5	37.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene?

The IUPAC name of 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene (CID 157394660) is 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene.

What is the SMILES notation for 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene?

The canonical SMILES for 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)cc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)c3)ccc1n2-c1ccccc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4nc5cc6c(cc5c5oc7ccccc7c45)oc4ccccc46)c3)c2)c1.

What is the InChIKey of 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene?

The InChIKey is BMKRFRLEPOXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H25N3O2.C43H25N3O2/c1-47-30-19-21-40-35(24-30)34-23-28(18-20-39(34)49(40)31-12-3-2-4-13-31)27-10-9-11-29(22-27)45-44-33-15-6-8-17-42(33)51-46(44)37-26-43-36(25-38(37)48-45)32-14-5-7-16-41(32)50-43;1-47-30-20-22-40-35(24-30)34-23-29(19-21-39(34)49(40)31-9-3-2-4-10-31)27-15-17-28(18-16-27)45-44-33-12-6-8-14-42(33)51-46(44)37-26-43-36(25-38(37)48-45)32-11-5-7-13-41(32)50-43;1-3-14-38-33(12-1)35-22-37-36(23-40(35)47-38)43-41(34-13-2-4-15-39(34)48-43)42(46-37)27-9-5-8-26(18-27)30-19-31(28-10-6-16-44-24-28)21-32(20-30)29-11-7-17-45-25-29/h2*2-26H;1-25H.

What are the key properties of 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene?

11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene has a molecular weight of 1919.14 g/mol, XLogP of 37.52, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[3-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene;11-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3,22-dioxa-12-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,23-undecaene is sourced from PubChem (CID 157394660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).