N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine

C47H36N2 — CID 70885802

About N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine

N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine (PubChem CID 70885802) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine
• PubChem CID: 70885802
• Molecular Formula: C47H36N2
• Molecular Weight: 628.82 g/mol
• Exact Mass: 628.29
• IUPAC Name: N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2-n2c3ccc(-c4ccc(N(c5ccc6c(c5)CCC=C6)c5cccc6ccccc56)cc4)cc3c3cccc1c32
• InChI: InChI=1S/C47H36N2/c1-47(2)41-17-7-8-19-45(41)49-44-28-24-35(30-40(44)39-16-10-18-42(47)46(39)49)32-21-25-36(26-22-32)48(37-27-23-31-11-3-4-13-34(31)29-37)43-20-9-14-33-12-5-6-15-38(33)43/h3,5-12,14-30H,4,13H2,1-2H3
• InChIKey: CBGRCDUUFURRQD-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.82
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine?

The IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine (CID 70885802) is N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine?

The canonical SMILES for N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-n2c3ccc(-c4ccc(N(c5ccc6c(c5)CCC=C6)c5cccc6ccccc56)cc4)cc3c3cccc1c32.

What is the InChIKey of N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine?

The InChIKey is CBGRCDUUFURRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-47(2)41-17-7-8-19-45(41)49-44-28-24-35(30-40(44)39-16-10-18-42(47)46(39)49)32-21-25-36(26-22-32)48(37-27-23-31-11-3-4-13-34(31)29-37)43-20-9-14-33-12-5-6-15-38(33)43/h3,5-12,14-30H,4,13H2,1-2H3.

What are the key properties of N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine?

N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine has a molecular weight of 628.82 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 70885802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).