N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C54H39N — CID 129230832

About N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 129230832) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
• PubChem CID: 129230832
• Molecular Formula: C54H39N
• Molecular Weight: 701.91 g/mol
• Exact Mass: 701.31
• IUPAC Name: N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
• SMILES: CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1
• InChI: InChI=1S/C54H39N/c1-53(2)46-26-13-28-48-51(46)52-47(53)27-14-29-49(52)54(48,39-19-4-3-5-20-39)40-21-12-22-42(35-40)55(50-30-11-18-37-16-7-9-24-45(37)50)41-33-31-38(32-34-41)44-25-10-17-36-15-6-8-23-43(36)44/h3-35H,1-2H3
• InChIKey: RDNQKYYHWFBGCN-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.91
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The IUPAC name of N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 129230832) is N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.

What is the InChIKey of N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The InChIKey is RDNQKYYHWFBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-53(2)46-26-13-28-48-51(46)52-47(53)27-14-29-49(52)54(48,39-19-4-3-5-20-39)40-21-12-22-42(35-40)55(50-30-11-18-37-16-7-9-24-45(37)50)41-33-31-38(32-34-41)44-25-10-17-36-15-6-8-23-43(36)44/h3-35H,1-2H3.

What are the key properties of N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 701.91 g/mol, XLogP of 14.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 129230832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).