N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine

C50H47N — CID 170405155

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine (PubChem CID 170405155) has the molecular formula C50H47N and a molecular weight of 661.93 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine.

Molecular Properties

• Compound Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
• PubChem CID: 170405155
• Molecular Formula: C50H47N
• Molecular Weight: 661.93 g/mol
• Exact Mass: 661.37
• IUPAC Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
• SMILES: CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccc3CCc3ccc(cc3)CC4)ccc2-c2c(-c3ccccc3)cccc21
• InChI: InChI=1S/C50H47N/c1-50(2)46-10-6-9-43(37-7-4-3-5-8-37)49(46)44-28-27-42(32-47(44)50)51(41-25-23-38(24-26-41)45-30-36-19-22-40(45)29-36)48-31-35-16-15-33-11-13-34(14-12-33)17-20-39(48)21-18-35/h3-14,18,21,23-28,31-32,36,40,45H,15-17,19-20,22,29-30H2,1-2H3
• InChIKey: VRHBGIAMWCDESM-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.93
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine (CID 170405155) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccc3CCc3ccc(cc3)CC4)ccc2-c2c(-c3ccccc3)cccc21.

What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

The InChIKey is VRHBGIAMWCDESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47N/c1-50(2)46-10-6-9-43(37-7-4-3-5-8-37)49(46)44-28-27-42(32-47(44)50)51(41-25-23-38(24-26-41)45-30-36-19-22-40(45)29-36)48-31-35-16-15-33-11-13-34(14-12-33)17-20-39(48)21-18-35/h3-14,18,21,23-28,31-32,36,40,45H,15-17,19-20,22,29-30H2,1-2H3.

What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine?

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine has a molecular weight of 661.93 g/mol, XLogP of 12.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine is sourced from PubChem (CID 170405155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).