2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]

C214H122N6O2S2 — CID 161164684

About 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]

2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine] (PubChem CID 161164684) has the molecular formula C214H122N6O2S2 and a molecular weight of 2873.50 g/mol. Its IUPAC name is 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine].

Molecular Properties

• Compound Name: 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]
• PubChem CID: 161164684
• Molecular Formula: C214H122N6O2S2
• Molecular Weight: 2873.50 g/mol
• Exact Mass: 2870.91
• IUPAC Name: 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5oc6ccc7ncccc7c6c5cc43)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5sc6ccc7ncccc7c6c5cc43)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5cc6oc7ccc8ncccc8c7c6cc53)c3cccnc3-4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5cc6sc7ccc8ncccc8c7c6cc53)c3cccnc3-4)c3ccccc23)cc1
• InChI: InChI=1S/C54H31NO.C54H31NS.C53H30N2O.C53H30N2S/c2*1-2-13-32(14-3-1)51-37-17-4-6-19-39(37)52(40-20-7-5-18-38(40)51)33-24-25-36-34-15-8-10-22-44(34)54(46(36)29-33)45-23-11-9-16-35(45)42-31-50-43(30-47(42)54)53-41-21-12-28-55-48(41)26-27-49(53)56-50;2*1-2-12-31(13-3-1)49-34-15-4-6-17-36(34)50(37-18-7-5-16-35(37)49)32-22-23-38-44(28-32)53(43-21-11-27-55-52(38)43)42-20-9-8-14-33(42)40-30-48-41(29-45(40)53)51-39-19-10-26-54-46(39)24-25-47(51)56-48/h2*1-31H;2*1-30H
• InChIKey: UQJHRKXYRLGTNC-UHFFFAOYSA-N
• XLogP: 56.20
• TPSA: 103.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2873.50
LogP ≤ 5	56.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]?

The IUPAC name of 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine] (CID 161164684) is 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine].

What is the SMILES notation for 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]?

The canonical SMILES for 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine] is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5oc6ccc7ncccc7c6c5cc43)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5sc6ccc7ncccc7c6c5cc43)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5cc6oc7ccc8ncccc8c7c6cc53)c3cccnc3-4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5cc6sc7ccc8ncccc8c7c6cc53)c3cccnc3-4)c3ccccc23)cc1.

What is the InChIKey of 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]?

The InChIKey is UQJHRKXYRLGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NO.C54H31NS.C53H30N2O.C53H30N2S/c2*1-2-13-32(14-3-1)51-37-17-4-6-19-39(37)52(40-20-7-5-18-38(40)51)33-24-25-36-34-15-8-10-22-44(34)54(46(36)29-33)45-23-11-9-16-35(45)42-31-50-43(30-47(42)54)53-41-21-12-28-55-48(41)26-27-49(53)56-50;2*1-2-12-31(13-3-1)49-34-15-4-6-17-36(34)50(37-18-7-5-16-35(37)49)32-22-23-38-44(28-32)53(43-21-11-27-55-52(38)43)42-20-9-8-14-33(42)40-30-48-41(29-45(40)53)51-39-19-10-26-54-46(39)24-25-47(51)56-48/h2*1-31H;2*1-30H.

What are the key properties of 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]?

2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine] has a molecular weight of 2873.50 g/mol, XLogP of 56.20, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 161164684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).