16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C50H28N4O2 — CID 155335747

About 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 155335747) has the molecular formula C50H28N4O2 and a molecular weight of 716.80 g/mol. Its IUPAC name is 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• PubChem CID: 155335747
• Molecular Formula: C50H28N4O2
• Molecular Weight: 716.80 g/mol
• Exact Mass: 716.22
• IUPAC Name: 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5oc6c7ccccc7c(-n7c8ccccc8c8ccccc87)cc6c5ccc43)nc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C50H28N4O2/c1-2-14-29(15-3-1)45-49-46(36-21-9-13-25-43(36)55-49)52-50(51-45)54-40-24-12-8-20-35(40)44-41(54)27-26-34-37-28-42(32-18-4-5-19-33(32)47(37)56-48(34)44)53-38-22-10-6-16-30(38)31-17-7-11-23-39(31)53/h1-28H
• InChIKey: TVUSSIAFEHHHHD-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.80
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 155335747) is 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5oc6c7ccccc7c(-n7c8ccccc8c8ccccc87)cc6c5ccc43)nc3c2oc2ccccc23)cc1.

What is the InChIKey of 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

The InChIKey is TVUSSIAFEHHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2/c1-2-14-29(15-3-1)45-49-46(36-21-9-13-25-43(36)55-49)52-50(51-45)54-40-24-12-8-20-35(40)44-41(54)27-26-34-37-28-42(32-18-4-5-19-33(32)47(37)56-48(34)44)53-38-22-10-6-16-30(38)31-17-7-11-23-39(31)53/h1-28H.

What are the key properties of 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?

16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 716.80 g/mol, XLogP of 13.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 155335747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).