5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole

C214H130S5 — CID 159374345

About 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole

5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole (PubChem CID 159374345) has the molecular formula C214H130S5 and a molecular weight of 2861.73 g/mol. Its IUPAC name is 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole.

Molecular Properties

• Compound Name: 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole
• PubChem CID: 159374345
• Molecular Formula: C214H130S5
• Molecular Weight: 2861.73 g/mol
• Exact Mass: 2858.88
• IUPAC Name: 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole
• SMILES: c1cc(-c2ccc(-c3cc4c5ccccc5sc4c4ccccc34)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)cc(-c1ccc(-c3cc4c5ccccc5sc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)sc1c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc21.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6cc7c8ccccc8sc7c7ccccc67)cc5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc5c6cc(-c7cc8c9ccccc9sc8c8ccccc78)ccc6ccc5c4c3)ccc2c1
• InChI: InChI=1S/2C46H28S.C44H26S.C42H26S.C36H22S/c1-2-14-36-34(12-1)35-13-3-4-15-37(35)43-27-33(24-25-39(36)43)32-11-9-10-31(26-32)29-20-22-30(23-21-29)42-28-44-40-17-7-8-19-45(40)47-46(44)41-18-6-5-16-38(41)42;1-2-11-36-34(9-1)35-10-3-4-12-37(35)43-27-33(25-26-39(36)43)31-19-17-29(18-20-31)30-21-23-32(24-22-30)42-28-44-40-14-7-8-16-45(40)47-46(44)41-15-6-5-13-38(41)42;1-2-8-30-23-31(16-13-27(30)7-1)32-17-14-28-19-22-36-35(39(28)24-32)21-20-29-15-18-33(25-40(29)36)41-26-42-37-10-5-6-12-43(37)45-44(42)38-11-4-3-9-34(38)41;1-2-8-30-23-32(18-15-27(30)7-1)35-22-21-33-24-31(19-20-34(33)25-35)28-13-16-29(17-14-28)39-26-40-37-10-5-6-12-41(37)43-42(40)38-11-4-3-9-36(38)39;1-2-10-26-25(9-1)21-32(28-12-4-3-11-27(26)28)23-17-19-24(20-18-23)33-22-34-30-14-7-8-16-35(30)37-36(34)31-15-6-5-13-29(31)33/h2*1-28H;1-26H;1-26H;1-22H
• InChIKey: LKCVKOMSGMFJEV-UHFFFAOYSA-N
• XLogP: 63.85
• TPSA: 0.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2861.73
LogP ≤ 5	63.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole?

The IUPAC name of 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole (CID 159374345) is 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole.

What is the SMILES notation for 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole?

The canonical SMILES for 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole is c1cc(-c2ccc(-c3cc4c5ccccc5sc4c4ccccc34)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc2c(c1)cc(-c1ccc(-c3cc4c5ccccc5sc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)sc1c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)cc21.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6cc7c8ccccc8sc7c7ccccc67)cc5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc5c6cc(-c7cc8c9ccccc9sc8c8ccccc78)ccc6ccc5c4c3)ccc2c1.

What is the InChIKey of 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole?

The InChIKey is LKCVKOMSGMFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28S.C44H26S.C42H26S.C36H22S/c1-2-14-36-34(12-1)35-13-3-4-15-37(35)43-27-33(24-25-39(36)43)32-11-9-10-31(26-32)29-20-22-30(23-21-29)42-28-44-40-17-7-8-19-45(40)47-46(44)41-18-6-5-16-38(41)42;1-2-11-36-34(9-1)35-10-3-4-12-37(35)43-27-33(25-26-39(36)43)31-19-17-29(18-20-31)30-21-23-32(24-22-30)42-28-44-40-14-7-8-16-45(40)47-46(44)41-15-6-5-13-38(41)42;1-2-8-30-23-31(16-13-27(30)7-1)32-17-14-28-19-22-36-35(39(28)24-32)21-20-29-15-18-33(25-40(29)36)41-26-42-37-10-5-6-12-43(37)45-44(42)38-11-4-3-9-34(38)41;1-2-8-30-23-32(18-15-27(30)7-1)35-22-21-33-24-31(19-20-34(33)25-35)28-13-16-29(17-14-28)39-26-40-37-10-5-6-12-41(37)43-42(40)38-11-4-3-9-36(38)39;1-2-10-26-25(9-1)21-32(28-12-4-3-11-27(26)28)23-17-19-24(20-18-23)33-22-34-30-14-7-8-16-35(30)37-36(34)31-15-6-5-13-29(31)33/h2*1-28H;1-26H;1-26H;1-22H.

What are the key properties of 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole?

5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole has a molecular weight of 2861.73 g/mol, XLogP of 63.85, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9-naphthalen-2-ylchrysen-3-yl)naphtho[1,2-b][1]benzothiole;5-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole;5-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzothiole;5-[4-(3-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole;5-[4-(4-triphenylen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 159374345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).