N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine

C55H45N — CID 170405122

About N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine

N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine (PubChem CID 170405122) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
• PubChem CID: 170405122
• Molecular Formula: C55H45N
• Molecular Weight: 719.97 g/mol
• Exact Mass: 719.36
• IUPAC Name: N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3cc4ccc3CCc3ccc(cc3)CC4)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21
• InChI: InChI=1S/C55H45N/c1-55(2)50-24-13-12-21-48(50)53-49(43-19-10-5-11-20-43)36-45(37-51(53)55)56(52-35-40-30-29-38-25-27-39(28-26-38)31-33-44(52)34-32-40)54-46(41-15-6-3-7-16-41)22-14-23-47(54)42-17-8-4-9-18-42/h3-28,32,34-37H,29-31,33H2,1-2H3
• InChIKey: IGYSILUVKUPPKY-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.97
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The IUPAC name of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine (CID 170405122) is N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine.

What is the SMILES notation for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The canonical SMILES for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3cc4ccc3CCc3ccc(cc3)CC4)c3c(-c4ccccc4)cccc3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The InChIKey is IGYSILUVKUPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-55(2)50-24-13-12-21-48(50)53-49(43-19-10-5-11-20-43)36-45(37-51(53)55)56(52-35-40-30-29-38-25-27-39(28-26-38)31-33-44(52)34-32-40)54-46(41-15-6-3-7-16-41)22-14-23-47(54)42-17-8-4-9-18-42/h3-28,32,34-37H,29-31,33H2,1-2H3.

What are the key properties of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine has a molecular weight of 719.97 g/mol, XLogP of 14.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-(2,6-diphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine is sourced from PubChem (CID 170405122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).