N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine

C59H47N — CID 170085240

About N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine (PubChem CID 170085240) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
• PubChem CID: 170085240
• Molecular Formula: C59H47N
• Molecular Weight: 770.03 g/mol
• Exact Mass: 769.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C43C4CC5CC6CC3C64C5)c3ccccc3-c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C59H47N/c1-57(2)49-20-10-8-18-46(49)47-27-25-43(34-52(47)57)60(53-22-11-9-17-44(53)40-24-23-37-13-6-7-16-39(37)31-40)42-26-28-50-48(33-42)56-45(38-14-4-3-5-15-38)19-12-21-51(56)59(50)54-30-36-29-41-32-55(59)58(41,54)35-36/h3-28,31,33-34,36,41,54-55H,29-30,32,35H2,1-2H3
• InChIKey: JNNYJDXPCXBXGS-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.03
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine (CID 170085240) is N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C43C4CC5CC6CC3C64C5)c3ccccc3-c3ccc4ccccc4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine?

The InChIKey is JNNYJDXPCXBXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-57(2)49-20-10-8-18-46(49)47-27-25-43(34-52(47)57)60(53-22-11-9-17-44(53)40-24-23-37-13-6-7-16-39(37)31-40)42-26-28-50-48(33-42)56-45(38-14-4-3-5-15-38)19-12-21-51(56)59(50)54-30-36-29-41-32-55(59)58(41,54)35-36/h3-28,31,33-34,36,41,54-55H,29-30,32,35H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine has a molecular weight of 770.03 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine is sourced from PubChem (CID 170085240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).