2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline

C117H76N8 — CID 158289505

About 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline

2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline (PubChem CID 158289505) has the molecular formula C117H76N8 and a molecular weight of 1593.95 g/mol. Its IUPAC name is 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline.

Molecular Properties

• Compound Name: 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline
• PubChem CID: 158289505
• Molecular Formula: C117H76N8
• Molecular Weight: 1593.95 g/mol
• Exact Mass: 1592.62
• IUPAC Name: 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3cc(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)cc(-c4ccc5ccccc5c4)c3)ccc2c1.c1ccc2cn3nc(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc4)cc3cc2c1
• InChI: InChI=1S/C43H28N2.C41H26N2.C33H22N4/c1-3-9-33-21-36(19-15-29(33)7-1)40-23-39(24-41(25-40)37-20-16-30-8-2-4-10-34(30)22-37)31-13-17-32(18-14-31)43-27-42-26-35-11-5-6-12-38(35)28-45(42)44-43;1-2-10-30-23-32(22-17-27(30)9-1)41-37-15-7-5-13-35(37)40(36-14-6-8-16-38(36)41)29-20-18-28(19-21-29)39-25-34-24-31-11-3-4-12-33(31)26-43(34)42-39;1-2-4-28-22-37-32(20-27(28)3-1)21-33(36-37)26-7-5-23(6-8-26)29-17-30(24-9-13-34-14-10-24)19-31(18-29)25-11-15-35-16-12-25/h1-28H;1-26H;1-22H
• InChIKey: GLEMRXBPEDBPKA-UHFFFAOYSA-N
• XLogP: 30.36
• TPSA: 77.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1593.95
LogP ≤ 5	30.36
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 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline?

The IUPAC name of 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline (CID 158289505) is 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline.

What is the SMILES notation for 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline?

The canonical SMILES for 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3cc(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)cc(-c4ccc5ccccc5c4)c3)ccc2c1.c1ccc2cn3nc(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc4)cc3cc2c1.

What is the InChIKey of 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline?

The InChIKey is GLEMRXBPEDBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2.C41H26N2.C33H22N4/c1-3-9-33-21-36(19-15-29(33)7-1)40-23-39(24-41(25-40)37-20-16-30-8-2-4-10-34(30)22-37)31-13-17-32(18-14-31)43-27-42-26-35-11-5-6-12-38(35)28-45(42)44-43;1-2-10-30-23-32(22-17-27(30)9-1)41-37-15-7-5-13-35(37)40(36-14-6-8-16-38(36)41)29-20-18-28(19-21-29)39-25-34-24-31-11-3-4-12-33(31)26-43(34)42-39;1-2-4-28-22-37-32(20-27(28)3-1)21-33(36-37)26-7-5-23(6-8-26)29-17-30(24-9-13-34-14-10-24)19-31(18-29)25-11-15-35-16-12-25/h1-28H;1-26H;1-22H.

What are the key properties of 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline?

2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline has a molecular weight of 1593.95 g/mol, XLogP of 30.36, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 158289505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).