15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole

C145H89N5O4S — CID 157160202

About 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole

15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole (PubChem CID 157160202) has the molecular formula C145H89N5O4S and a molecular weight of 1997.40 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole.

Molecular Properties

• Compound Name: 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole
• PubChem CID: 157160202
• Molecular Formula: C145H89N5O4S
• Molecular Weight: 1997.40 g/mol
• Exact Mass: 1995.66
• IUPAC Name: 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole
• SMILES: COc1ccc(-c2cc3cc4oc5ccccc5c4cc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c(-c4cc5cc6c(cc5c5cc(-c7cccnc7)ccc45)oc4ccccc46)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6sc7ccccc7c6cc5c5ccccc45)ccc32)cc1.c1cncc(-c2cc3cc4c(cc3c3ccc(-n5c6ccccc6c6ccccc65)cc23)oc2ccccc24)c1
• InChI: InChI=1S/C43H26N2O.C38H23NS.C37H22N2O.C27H18O2/c1-2-11-30(12-3-1)45-39-16-6-4-14-34(39)43-33(15-8-17-40(43)45)36-23-29-24-38-32-13-5-7-18-41(32)46-42(38)25-35(29)37-22-27(19-20-31(36)37)28-10-9-21-44-26-28;1-2-10-26(11-3-1)39-35-16-8-6-14-29(35)33-20-24(18-19-36(33)39)31-21-25-22-38-34(30-15-7-9-17-37(30)40-38)23-32(25)28-13-5-4-12-27(28)31;1-4-12-34-27(9-1)28-10-2-5-13-35(28)39(34)25-15-16-26-31-21-37-33(29-11-3-6-14-36(29)40-37)19-24(31)18-30(32(26)20-25)23-8-7-17-38-22-23;1-28-19-12-10-17(11-13-19)23-14-18-15-27-25(22-8-4-5-9-26(22)29-27)16-24(18)21-7-3-2-6-20(21)23/h1-26H;1-23H;1-22H;2-16H,1H3
• InChIKey: AMGZJQRUEOVHCR-UHFFFAOYSA-N
• XLogP: 40.46
• TPSA: 89.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1997.40
LogP ≤ 5	40.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole?

The IUPAC name of 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole (CID 157160202) is 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole.

What is the SMILES notation for 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole?

The canonical SMILES for 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole is COc1ccc(-c2cc3cc4oc5ccccc5c4cc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c(-c4cc5cc6c(cc5c5cc(-c7cccnc7)ccc45)oc4ccccc46)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6sc7ccccc7c6cc5c5ccccc45)ccc32)cc1.c1cncc(-c2cc3cc4c(cc3c3ccc(-n5c6ccccc6c6ccccc65)cc23)oc2ccccc24)c1.

What is the InChIKey of 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole?

The InChIKey is AMGZJQRUEOVHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O.C38H23NS.C37H22N2O.C27H18O2/c1-2-11-30(12-3-1)45-39-16-6-4-14-34(39)43-33(15-8-17-40(43)45)36-23-29-24-38-32-13-5-7-18-41(32)46-42(38)25-35(29)37-22-27(19-20-31(36)37)28-10-9-21-44-26-28;1-2-10-26(11-3-1)39-35-16-8-6-14-29(35)33-20-24(18-19-36(33)39)31-21-25-22-38-34(30-15-7-9-17-37(30)40-38)23-32(25)28-13-5-4-12-27(28)31;1-4-12-34-27(9-1)28-10-2-5-13-35(28)39(34)25-15-16-26-31-21-37-33(29-11-3-6-14-36(29)40-37)19-24(31)18-30(32(26)20-25)23-8-7-17-38-22-23;1-28-19-12-10-17(11-13-19)23-14-18-15-27-25(22-8-4-5-9-26(22)29-27)16-24(18)21-7-3-2-6-20(21)23/h1-26H;1-23H;1-22H;2-16H,1H3.

What are the key properties of 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole?

15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole has a molecular weight of 1997.40 g/mol, XLogP of 40.46, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4-methoxyphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;9-phenyl-4-(16-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)carbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;9-(20-pyridin-3-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)carbazole is sourced from PubChem (CID 157160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).