N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine

C49H35NO — CID 176598282

About N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine

N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine (PubChem CID 176598282) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine
• PubChem CID: 176598282
• Molecular Formula: C49H35NO
• Molecular Weight: 653.83 g/mol
• Exact Mass: 653.27
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3-c3cccc(-c5ccc6ccccc6c5)c3O4)cc21
• InChI: InChI=1S/C49H35NO/c1-49(2)43-23-11-10-19-39(43)40-29-28-36(31-44(40)49)50(35-16-4-3-5-17-35)45-24-13-25-46-47(45)41-20-9-8-18-38(41)42-22-12-21-37(48(42)51-46)34-27-26-32-14-6-7-15-33(32)30-34/h3-31H,1-2H3
• InChIKey: BCCHKYTVSVXCQH-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.83
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine (CID 176598282) is N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3-c3cccc(-c5ccc6ccccc6c5)c3O4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine?

The InChIKey is BCCHKYTVSVXCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-23-11-10-19-39(43)40-29-28-36(31-44(40)49)50(35-16-4-3-5-17-35)45-24-13-25-46-47(45)41-20-9-8-18-38(41)42-22-12-21-37(48(42)51-46)34-27-26-32-14-6-7-15-33(32)30-34/h3-31H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine?

N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine has a molecular weight of 653.83 g/mol, XLogP of 13.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine is sourced from PubChem (CID 176598282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).