4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C126H76N2O — CID 163855838

About 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 163855838) has the molecular formula C126H76N2O and a molecular weight of 1634.01 g/mol. Its IUPAC name is 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 163855838
• Molecular Formula: C126H76N2O
• Molecular Weight: 1634.01 g/mol
• Exact Mass: 1632.60
• IUPAC Name: 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6n6c7ccccc7c4c56)c4ccccc34)ccc2c1
• InChI: InChI=1S/2C42H25N.C42H26O/c1-2-12-27-25-28(22-21-26(27)11-1)39-30-14-3-5-16-32(30)40(33-17-6-4-15-31(33)39)36-24-23-34-29-13-7-9-19-37(29)43-38-20-10-8-18-35(38)41(36)42(34)43;1-2-13-28-26(11-1)12-9-19-31(28)41-34-17-5-3-15-32(34)40(33-16-4-6-18-35(33)41)27-23-24-30-37-21-10-20-36-29-14-7-8-22-38(29)43(42(36)37)39(30)25-27;1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h2*1-25H;1-26H
• InChIKey: OYEZBTYROZWBCJ-UHFFFAOYSA-N
• XLogP: 35.31
• TPSA: 21.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1634.01
LogP ≤ 5	35.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 163855838) is 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6n6c7ccccc7c4c56)c4ccccc34)ccc2c1.

What is the InChIKey of 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is OYEZBTYROZWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H25N.C42H26O/c1-2-12-27-25-28(22-21-26(27)11-1)39-30-14-3-5-16-32(30)40(33-17-6-4-15-31(33)39)36-24-23-34-29-13-7-9-19-37(29)43-38-20-10-8-18-35(38)41(36)42(34)43;1-2-13-28-26(11-1)12-9-19-31(28)41-34-17-5-3-15-32(34)40(33-16-4-6-18-35(33)41)27-23-24-30-37-21-10-20-36-29-14-7-8-22-38(29)43(42(36)37)39(30)25-27;1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h2*1-25H;1-26H.

What are the key properties of 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1634.01 g/mol, XLogP of 35.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(10-naphthalen-1-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163855838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).