2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran

C146H87N3O3S2 — CID 162139238

About 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran

2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran (PubChem CID 162139238) has the molecular formula C146H87N3O3S2 and a molecular weight of 1995.45 g/mol. Its IUPAC name is 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran.

Molecular Properties

• Compound Name: 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran
• PubChem CID: 162139238
• Molecular Formula: C146H87N3O3S2
• Molecular Weight: 1995.45 g/mol
• Exact Mass: 1993.62
• IUPAC Name: 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5cc6oc7ccccc7c6cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5cc6sc7ccccc7c6cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5ccccc5c5cc6oc7ccccc7c6cc45)cc32)cc1.c1ccc2c(c1)cc(-c1cccc3c1oc1ccccc13)c1cc3c(cc12)sc1ccccc13
• InChI: InChI=1S/2C38H23NO.C38H23NS.C32H18OS/c1-2-11-26(12-3-1)39-35-16-8-6-14-28(35)29-19-18-25(21-36(29)39)31-20-24-10-4-5-13-27(24)33-23-38-34(22-32(31)33)30-15-7-9-17-37(30)40-38;2*1-2-11-26(12-3-1)39-35-16-8-6-14-28(35)33-21-25(18-19-36(33)39)30-20-24-10-4-5-13-27(24)32-23-38-34(22-31(30)32)29-15-7-9-17-37(29)40-38;1-2-9-20-19(8-1)16-25(24-13-7-12-23-21-10-3-5-14-29(21)33-32(23)24)26-17-28-22-11-4-6-15-30(22)34-31(28)18-27(20)26/h3*1-23H;1-18H
• InChIKey: ZJRZZNQJWBTCOR-UHFFFAOYSA-N
• XLogP: 42.37
• TPSA: 54.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1995.45
LogP ≤ 5	42.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran?

The IUPAC name of 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran (CID 162139238) is 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran.

What is the SMILES notation for 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran?

The canonical SMILES for 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran is c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5cc6oc7ccccc7c6cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5cc6sc7ccccc7c6cc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5ccccc5c5cc6oc7ccccc7c6cc45)cc32)cc1.c1ccc2c(c1)cc(-c1cccc3c1oc1ccccc13)c1cc3c(cc12)sc1ccccc13.

What is the InChIKey of 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran?

The InChIKey is ZJRZZNQJWBTCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23NO.C38H23NS.C32H18OS/c1-2-11-26(12-3-1)39-35-16-8-6-14-28(35)29-19-18-25(21-36(29)39)31-20-24-10-4-5-13-27(24)33-23-38-34(22-32(31)33)30-15-7-9-17-37(30)40-38;2*1-2-11-26(12-3-1)39-35-16-8-6-14-28(35)33-21-25(18-19-36(33)39)30-20-24-10-4-5-13-27(24)32-23-38-34(22-31(30)32)29-15-7-9-17-37(29)40-38;1-2-9-20-19(8-1)16-25(24-13-7-12-23-21-10-3-5-14-29(21)33-32(23)24)26-17-28-22-11-4-6-15-30(22)34-31(28)18-27(20)26/h3*1-23H;1-18H.

What are the key properties of 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran?

2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran has a molecular weight of 1995.45 g/mol, XLogP of 42.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran is sourced from PubChem (CID 162139238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).