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-naphthalen-1-ylnaphthalen-1-amine

C48H35N — CID 129230818

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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 129230818) has the molecular formula C48H35N and a molecular weight of 625.82 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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-1-amine
• PubChem CID: 129230818
• Molecular Formula: C48H35N
• Molecular Weight: 625.82 g/mol
• Exact Mass: 625.28
• 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-naphthalen-1-ylnaphthalen-1-amine
• SMILES: CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1
• InChI: InChI=1S/C48H35N/c1-47(2)39-25-13-27-41-45(39)46-40(47)26-14-28-42(46)48(41,34-19-4-3-5-20-34)35-21-12-22-36(31-35)49(43-29-10-17-32-15-6-8-23-37(32)43)44-30-11-18-33-16-7-9-24-38(33)44/h3-31H,1-2H3
• InChIKey: MGHADMIQRLRSGN-UHFFFAOYSA-N
• XLogP: 12.47
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.82
LogP ≤ 5	12.47
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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-1-amine (CID 129230818) 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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-1-amine is CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2cccc3ccccc23)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-naphthalen-1-ylnaphthalen-1-amine?

The InChIKey is MGHADMIQRLRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-47(2)39-25-13-27-41-45(39)46-40(47)26-14-28-42(46)48(41,34-19-4-3-5-20-34)35-21-12-22-36(31-35)49(43-29-10-17-32-15-6-8-23-37(32)43)44-30-11-18-33-16-7-9-24-38(33)44/h3-31H,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-naphthalen-1-ylnaphthalen-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-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 625.82 g/mol, XLogP of 12.47, 5 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-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 129230818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).