5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C52H32N2O — CID 142292964

About 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 142292964) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• PubChem CID: 142292964
• Molecular Formula: C52H32N2O
• Molecular Weight: 700.84 g/mol
• Exact Mass: 700.25
• IUPAC Name: 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• SMILES: C=Cc1oc2ccc(-c3ccc4c(c3)c3c5cccc6c5c(cc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)-c3ccccc3-6)cc2c1C=C
• InChI: InChI=1S/C52H32N2O/c1-3-35-42-27-32(22-26-50(42)55-49(35)4-2)31-21-24-47-44(28-31)52-40-19-12-18-39-36-15-8-9-16-37(36)43(51(39)40)30-48(52)54(47)34-23-25-46-41(29-34)38-17-10-11-20-45(38)53(46)33-13-6-5-7-14-33/h3-30H,1-2H2
• InChIKey: IYUUQOKOIXFUPS-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.84
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The IUPAC name of 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 142292964) is 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

What is the SMILES notation for 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The canonical SMILES for 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is C=Cc1oc2ccc(-c3ccc4c(c3)c3c5cccc6c5c(cc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)-c3ccccc3-6)cc2c1C=C.

What is the InChIKey of 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The InChIKey is IYUUQOKOIXFUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-35-42-27-32(22-26-50(42)55-49(35)4-2)31-21-24-47-44(28-31)52-40-19-12-18-39-36-15-8-9-16-37(36)43(51(39)40)30-48(52)54(47)34-23-25-46-41(29-34)38-17-10-11-20-45(38)53(46)33-13-6-5-7-14-33/h3-30H,1-2H2.

What are the key properties of 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 700.84 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,3-bis(ethenyl)-1-benzofuran-5-yl]-9-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 142292964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).