9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole

C51H32N4 — CID 58099080

About 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole

9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole (PubChem CID 58099080) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole
• PubChem CID: 58099080
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cccnc87)cc6)cn5)nc4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C51H32N4/c1-2-11-35-30-36(20-19-33(35)10-1)49-41-13-3-5-15-43(41)50(44-16-6-4-14-42(44)49)38-24-28-47(54-32-38)46-27-23-37(31-53-46)34-21-25-39(26-22-34)55-48-18-8-7-12-40(48)45-17-9-29-52-51(45)55/h1-32H
• InChIKey: SQCFRIOFBBCGBM-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole?

The IUPAC name of 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole (CID 58099080) is 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cccnc87)cc6)cn5)nc4)c4ccccc34)ccc2c1.

What is the InChIKey of 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole?

The InChIKey is SQCFRIOFBBCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-11-35-30-36(20-19-33(35)10-1)49-41-13-3-5-15-43(41)50(44-16-6-4-14-42(44)49)38-24-28-47(54-32-38)46-27-23-37(31-53-46)34-21-25-39(26-22-34)55-48-18-8-7-12-40(48)45-17-9-29-52-51(45)55/h1-32H.

What are the key properties of 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole?

9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 58099080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).