9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole

C172H111F3N8 — CID 160617878

About 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole

9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole (PubChem CID 160617878) has the molecular formula C172H111F3N8 and a molecular weight of 2346.83 g/mol. Its IUPAC name is 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole
• PubChem CID: 160617878
• Molecular Formula: C172H111F3N8
• Molecular Weight: 2346.83 g/mol
• Exact Mass: 2344.89
• IUPAC Name: 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole
• SMILES: CC(C)c1ccc2c3ccncc3n(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2c1.FC(F)(F)c1cccc2c1c1cccnc1n2-c1ccc2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2c1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-n5c6ccccc6c6cnccc65)ccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-n6c7ccccc7c7ccncc76)ccc5c4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C45H28N2.C44H32N2.C42H25F3N2.C41H26N2/c1-2-12-34-29(10-1)11-9-18-37(34)45-40-16-5-3-14-38(40)44(39-15-4-6-17-41(39)45)32-21-20-31-27-33(23-22-30(31)26-32)47-42-19-8-7-13-35(42)36-24-25-46-28-43(36)47;1-28(2)30-19-21-35-36-22-23-45-27-42(36)46(41(35)26-30)34-20-18-31-24-33(17-16-32(31)25-34)44-39-14-8-6-12-37(39)43(29-10-4-3-5-11-29)38-13-7-9-15-40(38)44;43-42(44,45)36-17-8-18-37-40(36)35-16-9-23-46-41(35)47(37)30-22-21-27-24-29(20-19-28(27)25-30)39-33-14-6-4-12-31(33)38(26-10-2-1-3-11-26)32-13-5-7-15-34(32)39;1-2-10-27(11-3-1)40-33-13-4-6-15-35(33)41(36-16-7-5-14-34(36)40)30-19-18-29-25-31(21-20-28(29)24-30)43-38-17-9-8-12-32(38)37-26-42-23-22-39(37)43/h1-28H;3-28H,1-2H3;1-25H;1-26H
• InChIKey: RGIBFECBFDLLDA-UHFFFAOYSA-N
• XLogP: 47.18
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2346.83
LogP ≤ 5	47.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole?

The IUPAC name of 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole (CID 160617878) is 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole.

What is the SMILES notation for 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole?

The canonical SMILES for 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole is CC(C)c1ccc2c3ccncc3n(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2c1.FC(F)(F)c1cccc2c1c1cccnc1n2-c1ccc2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2c1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-n5c6ccccc6c6cnccc65)ccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-n6c7ccccc7c7ccncc76)ccc5c4)c4ccccc34)cccc2c1.

What is the InChIKey of 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole?

The InChIKey is RGIBFECBFDLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2.C44H32N2.C42H25F3N2.C41H26N2/c1-2-12-34-29(10-1)11-9-18-37(34)45-40-16-5-3-14-38(40)44(39-15-4-6-17-41(39)45)32-21-20-31-27-33(23-22-30(31)26-32)47-42-19-8-7-13-35(42)36-24-25-46-28-43(36)47;1-28(2)30-19-21-35-36-22-23-45-27-42(36)46(41(35)26-30)34-20-18-31-24-33(17-16-32(31)25-34)44-39-14-8-6-12-37(39)43(29-10-4-3-5-11-29)38-13-7-9-15-40(38)44;43-42(44,45)36-17-8-18-37-40(36)35-16-9-23-46-41(35)47(37)30-22-21-27-24-29(20-19-28(27)25-30)39-33-14-6-4-12-31(33)38(26-10-2-1-3-11-26)32-13-5-7-15-34(32)39;1-2-10-27(11-3-1)40-33-13-4-6-15-35(33)41(36-16-7-5-14-34(36)40)30-19-18-29-25-31(21-20-28(29)24-30)43-38-17-9-8-12-32(38)37-26-42-23-22-39(37)43/h1-28H;3-28H,1-2H3;1-25H;1-26H.

What are the key properties of 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole?

9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole has a molecular weight of 2346.83 g/mol, XLogP of 47.18, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole is sourced from PubChem (CID 160617878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).