9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

C238H150 — CID 159768381

About 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (PubChem CID 159768381) has the molecular formula C238H150 and a molecular weight of 3009.82 g/mol. Its IUPAC name is 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
• PubChem CID: 159768381
• Molecular Formula: C238H150
• Molecular Weight: 3009.82 g/mol
• Exact Mass: 3007.17
• IUPAC Name: 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
• SMILES: c1ccc(-c2cc3cc(-c4ccccc4)c4c5ccccc5ccc4c3c3ccccc23)cc1.c1ccc(-c2ccc3cc(-c4cc5cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c6c7ccccc7ccc6c5c5ccccc45)ccc3c2)cc1.c1ccc2c(-c3ccc(-c4cc5cc(-c6ccc(-c7cccc8ccccc78)cc6)c6c7ccccc7ccc6c5c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5c6ccccc6ccc5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6c7ccccc7ccc6c5c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/3C54H34.C42H26.C34H22/c1-4-16-43-35(11-1)14-9-21-45(43)38-23-27-40(28-24-38)51-33-42-34-52(41-29-25-39(26-30-41)46-22-10-15-36-12-2-5-17-44(36)46)54-47-18-6-3-13-37(47)31-32-50(54)53(42)49-20-8-7-19-48(49)51;1-3-12-42-31-44(27-21-35(42)9-1)37-17-23-40(24-18-37)51-33-46-34-52(41-25-19-38(20-26-41)45-28-22-36-10-2-4-13-43(36)32-45)54-47-14-6-5-11-39(47)29-30-50(54)53(46)49-16-8-7-15-48(49)51;1-3-11-35(12-4-1)38-19-21-42-31-44(25-23-40(42)29-38)51-33-46-34-52(45-26-24-41-30-39(20-22-43(41)32-45)36-13-5-2-6-14-36)54-47-16-8-7-15-37(47)27-28-50(54)53(46)49-18-10-9-17-48(49)51;1-3-12-30-23-32(19-17-27(30)9-1)39-25-34-26-40(33-20-18-28-10-2-4-13-31(28)24-33)42-35-14-6-5-11-29(35)21-22-38(42)41(34)37-16-8-7-15-36(37)39;1-3-11-23(12-4-1)31-21-26-22-32(24-13-5-2-6-14-24)34-27-16-8-7-15-25(27)19-20-30(34)33(26)29-18-10-9-17-28(29)31/h3*1-34H;1-26H;1-22H
• InChIKey: NFUKDDXENVFGOP-UHFFFAOYSA-N
• XLogP: 67.39
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3009.82
LogP ≤ 5	67.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The IUPAC name of 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (CID 159768381) is 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

What is the SMILES notation for 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The canonical SMILES for 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is c1ccc(-c2cc3cc(-c4ccccc4)c4c5ccccc5ccc4c3c3ccccc23)cc1.c1ccc(-c2ccc3cc(-c4cc5cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c6c7ccccc7ccc6c5c5ccccc45)ccc3c2)cc1.c1ccc2c(-c3ccc(-c4cc5cc(-c6ccc(-c7cccc8ccccc78)cc6)c6c7ccccc7ccc6c5c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5c6ccccc6ccc5c4c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4cc5cc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6c7ccccc7ccc6c5c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The InChIKey is NFUKDDXENVFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H34.C42H26.C34H22/c1-4-16-43-35(11-1)14-9-21-45(43)38-23-27-40(28-24-38)51-33-42-34-52(41-29-25-39(26-30-41)46-22-10-15-36-12-2-5-17-44(36)46)54-47-18-6-3-13-37(47)31-32-50(54)53(42)49-20-8-7-19-48(49)51;1-3-12-42-31-44(27-21-35(42)9-1)37-17-23-40(24-18-37)51-33-46-34-52(41-25-19-38(20-26-41)45-28-22-36-10-2-4-13-43(36)32-45)54-47-14-6-5-11-39(47)29-30-50(54)53(46)49-16-8-7-15-48(49)51;1-3-11-35(12-4-1)38-19-21-42-31-44(25-23-40(42)29-38)51-33-46-34-52(45-26-24-41-30-39(20-22-43(41)32-45)36-13-5-2-6-14-36)54-47-16-8-7-15-37(47)27-28-50(54)53(46)49-18-10-9-17-48(49)51;1-3-12-30-23-32(19-17-27(30)9-1)39-25-34-26-40(33-20-18-28-10-2-4-13-31(28)24-33)42-35-14-6-5-11-29(35)21-22-38(42)41(34)37-16-8-7-15-36(37)39;1-3-11-23(12-4-1)31-21-26-22-32(24-13-5-2-6-14-24)34-27-16-8-7-15-25(27)19-20-30(34)33(26)29-18-10-9-17-28(29)31/h3*1-34H;1-26H;1-22H.

What are the key properties of 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene has a molecular weight of 3009.82 g/mol, XLogP of 67.39, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 159768381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).