N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine

C70H63N — CID 170303968

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 170303968) has the molecular formula C70H63N and a molecular weight of 918.28 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 170303968
• Molecular Formula: C70H63N
• Molecular Weight: 918.28 g/mol
• Exact Mass: 917.50
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(C4=CC=C5c6ccccc6C(c6ccccc6)(c6ccccc6)C5C4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C70H63N/c1-67(2,3)50-41-47(42-51(43-50)68(4,5)6)54-32-21-23-46-24-22-33-60(66(46)54)59-31-17-20-36-65(59)71(52-37-39-57-55-29-15-18-34-61(55)69(7,8)63(57)44-52)53-38-40-58-56-30-16-19-35-62(56)70(64(58)45-53,48-25-11-9-12-26-48)49-27-13-10-14-28-49/h9-44,64H,45H2,1-8H3
• InChIKey: JTVCAFOKVSAYAH-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.28
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 170303968) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(C4=CC=C5c6ccccc6C(c6ccccc6)(c6ccccc6)C5C4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is JTVCAFOKVSAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H63N/c1-67(2,3)50-41-47(42-51(43-50)68(4,5)6)54-32-21-23-46-24-22-33-60(66(46)54)59-31-17-20-36-65(59)71(52-37-39-57-55-29-15-18-34-61(55)69(7,8)63(57)44-52)53-38-40-58-56-30-16-19-35-62(56)70(64(58)45-53,48-25-11-9-12-26-48)49-27-13-10-14-28-49/h9-44,64H,45H2,1-8H3.

What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine?

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 918.28 g/mol, XLogP of 18.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 170303968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).