3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C145H87NO5S — CID 157405474

About 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 157405474) has the molecular formula C145H87NO5S and a molecular weight of 1955.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 157405474
• Molecular Formula: C145H87NO5S
• Molecular Weight: 1955.36 g/mol
• Exact Mass: 1953.63
• IUPAC Name: 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: O=S(=O)(c1ccccc1)c1cncc(-c2c3ccccc3c(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)ccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)ccc34)ccc2c1
• InChI: InChI=1S/C54H32O.C46H28O.C45H27NO3S/c1-3-14-36-29-40(23-21-33(36)11-1)50-44-19-9-10-20-45(44)51(41-24-22-34-12-2-4-15-37(34)30-41)48-32-39(25-27-46(48)50)47-31-38-16-6-8-18-43(38)53-52-42-17-7-5-13-35(42)26-28-49(52)55-54(47)53;1-3-14-30(15-4-1)42-36-21-11-12-22-37(36)43(31-16-5-2-6-17-31)40-28-33(23-25-38(40)42)39-27-32-18-8-10-20-35(32)45-44-34-19-9-7-13-29(34)24-26-41(44)47-46(39)45;47-50(48,31-14-2-1-3-15-31)32-24-30(26-46-27-32)41-35-18-8-10-20-37(35)42(38-21-11-9-19-36(38)41)39-25-29-13-5-7-17-34(29)44-43-33-16-6-4-12-28(33)22-23-40(43)49-45(39)44/h1-32H;1-28H;1-27H
• InChIKey: BNQYZQGEDSXQQX-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 86.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1955.36
LogP ≤ 5	40.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 157405474) is 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is O=S(=O)(c1ccccc1)c1cncc(-c2c3ccccc3c(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)ccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)ccc34)ccc2c1.

What is the InChIKey of 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is BNQYZQGEDSXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O.C46H28O.C45H27NO3S/c1-3-14-36-29-40(23-21-33(36)11-1)50-44-19-9-10-20-45(44)51(41-24-22-34-12-2-4-15-37(34)30-41)48-32-39(25-27-46(48)50)47-31-38-16-6-8-18-43(38)53-52-42-17-7-5-13-35(42)26-28-49(52)55-54(47)53;1-3-14-30(15-4-1)42-36-21-11-12-22-37(36)43(31-16-5-2-6-17-31)40-28-33(23-25-38(40)42)39-27-32-18-8-10-20-35(32)45-44-34-19-9-7-13-29(34)24-26-41(44)47-46(39)45;47-50(48,31-14-2-1-3-15-31)32-24-30(26-46-27-32)41-35-18-8-10-20-37(35)42(38-21-11-9-19-36(38)41)39-25-29-13-5-7-17-34(29)44-43-33-16-6-4-12-28(33)22-23-40(43)49-45(39)44/h1-32H;1-28H;1-27H.

What are the key properties of 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1955.36 g/mol, XLogP of 40.47, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-5-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]pyridine;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-(9,10-diphenylanthracen-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 157405474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).