1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole

C65H45N — CID 58161278

About 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole

1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole (PubChem CID 58161278) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole.

Molecular Properties

• Compound Name: 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
• PubChem CID: 58161278
• Molecular Formula: C65H45N
• Molecular Weight: 840.08 g/mol
• Exact Mass: 839.36
• IUPAC Name: 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5cc43)cc21
• InChI: InChI=1S/C65H45N/c1-65(2)58-38-49(48-32-31-42-19-15-16-28-47(42)37-48)33-35-51(58)52-36-34-50(39-59(52)65)66-60-41-56-55(40-57(60)63(45-24-11-5-12-25-45)64(66)46-26-13-6-14-27-46)61(43-20-7-3-8-21-43)53-29-17-18-30-54(53)62(56)44-22-9-4-10-23-44/h3-41H,1-2H3
• InChIKey: WISVOQZMOHQALX-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.08
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole?

The IUPAC name of 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole (CID 58161278) is 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole.

What is the SMILES notation for 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole?

The canonical SMILES for 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5cc43)cc21.

What is the InChIKey of 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole?

The InChIKey is WISVOQZMOHQALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-65(2)58-38-49(48-32-31-42-19-15-16-28-47(42)37-48)33-35-51(58)52-36-34-50(39-59(52)65)66-60-41-56-55(40-57(60)63(45-24-11-5-12-25-45)64(66)46-26-13-6-14-27-46)61(43-20-7-3-8-21-43)53-29-17-18-30-54(53)62(56)44-22-9-4-10-23-44/h3-41H,1-2H3.

What are the key properties of 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole?

1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole has a molecular weight of 840.08 g/mol, XLogP of 17.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole is sourced from PubChem (CID 58161278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).