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

C56H37NO — CID 171739244

IUPACN-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-33-30-46(37-52(49)41-16-5-2-6-17-41)39-27-31-47(32-28-39)57(48-21-11-20-44(36-48)45-26-25-38-13-7-8-19-43(38)35-45)53-23-12-24-54-55(53)51-34-29-42-18-9-10-22-50(42)56(51)58-54/h1-37H/i27D,28D,31D,32D
InChIKeyNERSEUHXSCTQPV-UXAFZMSYSA-N
MW743.94 g/mol
LogP16.03
Rot. Bonds7

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

N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739244) has the molecular formula C56H37NO and a molecular weight of 743.94 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739244
Molecular FormulaC56H37NO
Molecular Weight743.94 g/mol
Exact Mass743.31
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-33-30-46(37-52(49)41-16-5-2-6-17-41)39-27-31-47(32-28-39)57(48-21-11-20-44(36-48)45-26-25-38-13-7-8-19-43(38)35-45)53-23-12-24-54-55(53)51-34-29-42-18-9-10-22-50(42)56(51)58-54/h1-37H/i27D,28D,31D,32D
InChIKeyNERSEUHXSCTQPV-UXAFZMSYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738556
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
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-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(3-phenylphenyl)aniline
CID 167330067
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739661
N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738954
N-[4-(2,4-diphenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737688
N-(3-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737856
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

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171739244) is N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is NERSEUHXSCTQPV-UXAFZMSYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-33-30-46(37-52(49)41-16-5-2-6-17-41)39-27-31-47(32-28-39)57(48-21-11-20-44(36-48)45-26-25-38-13-7-8-19-43(38)35-45)53-23-12-24-54-55(53)51-34-29-42-18-9-10-22-50(42)56(51)58-54/h1-37H/i27D,28D,31D,32D.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 743.94 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).