5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

C240H136N30 — CID 158794007

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 158794007) has the molecular formula C240H136N30 and a molecular weight of 3439.94 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
• PubChem CID: 158794007
• Molecular Formula: C240H136N30
• Molecular Weight: 3439.94 g/mol
• Exact Mass: 3437.16
• IUPAC Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
• SMILES: [C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C#N)cc7)cc6)c6ccccc56)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc(C#N)cc6)c6ccccc56)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c4cccnc4c3nc2c1
• InChI: InChI=1S/C48H28N6.C46H26N4.C40H22N4.2C38H22N6.C30H16N4/c1-49-36-23-22-34-27-35-28-42(41-17-10-26-50-45(41)44(35)51-43(34)29-36)40-25-24-37(38-15-8-9-16-39(38)40)30-18-20-33(21-19-30)48-53-46(31-11-4-2-5-12-31)52-47(54-48)32-13-6-3-7-14-32;1-48-37-21-20-35-25-36-26-43(42-7-4-24-49-46(42)45(36)50-44(35)27-37)34-18-16-33(17-19-34)39-23-22-38(40-5-2-3-6-41(39)40)32-14-12-31(13-15-32)30-10-8-29(28-47)9-11-30;1-42-31-17-16-29-21-30-22-37(36-7-4-20-43-40(36)39(30)44-38(29)23-31)28-14-12-27(13-15-28)33-19-18-32(34-5-2-3-6-35(33)34)26-10-8-25(24-41)9-11-26;1-39-30-18-17-27-21-29-22-32(31-16-9-19-40-35(31)34(29)41-33(27)23-30)26-14-8-15-28(20-26)38-43-36(24-10-4-2-5-11-24)42-37(44-38)25-12-6-3-7-13-25;1-39-30-19-18-28-21-29-22-32(31-13-8-20-40-35(31)34(29)41-33(28)23-30)24-14-16-27(17-15-24)38-43-36(25-9-4-2-5-10-25)42-37(44-38)26-11-6-3-7-12-26;1-32-25-13-12-23-15-24-16-27(26-3-2-14-33-30(26)29(24)34-28(23)17-25)22-10-8-21(9-11-22)20-6-4-19(18-31)5-7-20/h2-29H;2-27H;3*2-23H;2-17H
• InChIKey: ISQFRQLUTADBLH-UHFFFAOYSA-N
• XLogP: 61.23
• TPSA: 368.22 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3439.94
LogP ≤ 5	61.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (CID 158794007) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.

What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is [C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C#N)cc7)cc6)c6ccccc56)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc(C#N)cc6)c6ccccc56)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc45)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4cccnc4c3nc2c1.[C-]#[N+]c1ccc2cc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c4cccnc4c3nc2c1.

What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?

The InChIKey is ISQFRQLUTADBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6.C46H26N4.C40H22N4.2C38H22N6.C30H16N4/c1-49-36-23-22-34-27-35-28-42(41-17-10-26-50-45(41)44(35)51-43(34)29-36)40-25-24-37(38-15-8-9-16-39(38)40)30-18-20-33(21-19-30)48-53-46(31-11-4-2-5-12-31)52-47(54-48)32-13-6-3-7-14-32;1-48-37-21-20-35-25-36-26-43(42-7-4-24-49-46(42)45(36)50-44(35)27-37)34-18-16-33(17-19-34)39-23-22-38(40-5-2-3-6-41(39)40)32-14-12-31(13-15-32)30-10-8-29(28-47)9-11-30;1-42-31-17-16-29-21-30-22-37(36-7-4-20-43-40(36)39(30)44-38(29)23-31)28-14-12-27(13-15-28)33-19-18-32(34-5-2-3-6-35(33)34)26-10-8-25(24-41)9-11-26;1-39-30-18-17-27-21-29-22-32(31-16-9-19-40-35(31)34(29)41-33(27)23-30)26-14-8-15-28(20-26)38-43-36(24-10-4-2-5-11-24)42-37(44-38)25-12-6-3-7-13-25;1-39-30-19-18-28-21-29-22-32(31-13-8-20-40-35(31)34(29)41-33(28)23-30)24-14-16-27(17-15-24)38-43-36(25-9-4-2-5-10-25)42-37(44-38)26-11-6-3-7-12-26;1-32-25-13-12-23-15-24-16-27(26-3-2-14-33-30(26)29(24)34-28(23)17-25)22-10-8-21(9-11-22)20-6-4-19(18-31)5-7-20/h2-29H;2-27H;3*2-23H;2-17H.

What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 3439.94 g/mol, XLogP of 61.23, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-isocyanobenzo[b][1,10]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-10-isocyanobenzo[b][1,10]phenanthroline;4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]benzonitrile;4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-[4-(10-isocyanobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 158794007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).