N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C38H25NO — CID 171739606

IUPACN-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-30(24-21-27)39(34-17-8-14-28-12-4-6-15-31(28)34)35-18-9-19-36-37(35)33-25-22-29-13-5-7-16-32(29)38(33)40-36/h1-25H/i20D,21D,23D,24D
InChIKeyMGTKJKIXEZMIOB-VCQLOCGHSA-N
MW515.65 g/mol
LogP11.03
Rot. Bonds4

About N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739606) has the molecular formula C38H25NO and a molecular weight of 515.65 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739606
Molecular FormulaC38H25NO
Molecular Weight515.65 g/mol
Exact Mass515.22
IUPAC NameN-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-30(24-21-27)39(34-17-8-14-28-12-4-6-15-31(28)34)35-18-9-19-36-37(35)33-25-22-29-13-5-7-16-32(29)38(33)40-36/h1-25H/i20D,21D,23D,24D
InChIKeyMGTKJKIXEZMIOB-VCQLOCGHSA-N
XLogP11.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737811
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737613
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738966
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737306
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)-4-(4-phenylphenyl)aniline
CID 167331120
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737639
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738789
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737711
N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738957
N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738262

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739606) is N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is MGTKJKIXEZMIOB-VCQLOCGHSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-10-26(11-3-1)27-20-23-30(24-21-27)39(34-17-8-14-28-12-4-6-15-31(28)34)35-18-9-19-36-37(35)33-25-22-29-13-5-7-16-32(29)38(33)40-36/h1-25H/i20D,21D,23D,24D.
What are the key properties of N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 515.65 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).