8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole

C51H34N2 — CID 130449633

About 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole

8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 130449633) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
• PubChem CID: 130449633
• Molecular Formula: C51H34N2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
• SMILES: C1=CC2C=CC(c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc34)=CC2C=C1
• InChI: InChI=1S/C51H34N2/c1-2-14-41(15-3-1)53-48-25-23-38(30-45(48)47-32-52-27-26-49(47)53)37-22-24-44-46(31-37)51(40-21-19-34-11-5-7-13-36(34)29-40)43-17-9-8-16-42(43)50(44)39-20-18-33-10-4-6-12-35(33)28-39/h1-33,35H
• InChIKey: ZXLCSCSZQASCRR-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.85
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole?

The IUPAC name of 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole (CID 130449633) is 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole.

What is the SMILES notation for 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole?

The canonical SMILES for 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole is C1=CC2C=CC(c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc34)=CC2C=C1.

What is the InChIKey of 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole?

The InChIKey is ZXLCSCSZQASCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-2-14-41(15-3-1)53-48-25-23-38(30-45(48)47-32-52-27-26-49(47)53)37-22-24-44-46(31-37)51(40-21-19-34-11-5-7-13-36(34)29-40)43-17-9-8-16-42(43)50(44)39-20-18-33-10-4-6-12-35(33)28-39/h1-33,35H.

What are the key properties of 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole?

8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 674.85 g/mol, XLogP of 13.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 130449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).