4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile

C116H70N2 — CID 160995339

About 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile

4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile (PubChem CID 160995339) has the molecular formula C116H70N2 and a molecular weight of 1491.85 g/mol. Its IUPAC name is 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
• PubChem CID: 160995339
• Molecular Formula: C116H70N2
• Molecular Weight: 1491.85 g/mol
• Exact Mass: 1490.55
• IUPAC Name: 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1.N#Cc1ccc(-c2ccc3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc3c2)cc1.c1cc(-c2ccc3cc(-c4cc5ccccc5c5ccccc45)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1
• InChI: InChI=1S/C46H28.C37H23N.C33H19N/c1-2-12-36-34(9-1)28-45(41-16-6-3-13-38(36)41)35-22-21-31-25-30(19-20-32(31)27-35)29-10-7-11-33(26-29)37-23-24-44-40-15-5-4-14-39(40)43-18-8-17-42(37)46(43)44;38-24-25-14-16-26(17-15-25)28-18-19-30-23-31(21-20-29(30)22-28)37-34-12-6-4-10-32(34)36(27-8-2-1-3-9-27)33-11-5-7-13-35(33)37;34-20-21-8-10-22(11-9-21)23-12-13-25-19-26(15-14-24(25)18-23)27-16-17-32-29-5-2-1-4-28(29)31-7-3-6-30(27)33(31)32/h1-28H;1-23H;1-19H
• InChIKey: TVEBMRJFSFSALO-UHFFFAOYSA-N
• XLogP: 31.81
• TPSA: 47.58 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1491.85
LogP ≤ 5	31.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?

The IUPAC name of 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile (CID 160995339) is 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile.

What is the SMILES notation for 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?

The canonical SMILES for 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1.N#Cc1ccc(-c2ccc3cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc3c2)cc1.c1cc(-c2ccc3cc(-c4cc5ccccc5c5ccccc45)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.

What is the InChIKey of 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?

The InChIKey is TVEBMRJFSFSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28.C37H23N.C33H19N/c1-2-12-36-34(9-1)28-45(41-16-6-3-13-38(36)41)35-22-21-31-25-30(19-20-32(31)27-35)29-10-7-11-33(26-29)37-23-24-44-40-15-5-4-14-39(40)43-18-8-17-42(37)46(43)44;38-24-25-14-16-26(17-15-25)28-18-19-30-23-31(21-20-29(30)22-28)37-34-12-6-4-10-32(34)36(27-8-2-1-3-9-27)33-11-5-7-13-35(33)37;34-20-21-8-10-22(11-9-21)23-12-13-25-19-26(15-14-24(25)18-23)27-16-17-32-29-5-2-1-4-28(29)31-7-3-6-30(27)33(31)32/h1-28H;1-23H;1-19H.

What are the key properties of 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?

4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile has a molecular weight of 1491.85 g/mol, XLogP of 31.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 160995339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).