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

C56H35NO2 — CID 171739600

IUPACN-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c1[2H]
InChIInChI=1S/C56H35NO2/c1-3-19-44-37(12-1)14-9-22-45(44)40-16-7-15-39(34-40)36-28-31-42(32-29-36)57(51-25-11-27-53-54(51)50-33-30-38-13-2-4-20-46(38)56(50)59-53)43-18-8-17-41(35-43)47-23-10-24-49-48-21-5-6-26-52(48)58-55(47)49/h1-35H/i8D,17D,18D,28D,29D,31D,32D,35D
InChIKeyIOPDNPSCLZWFKV-DPAUGPMHSA-N
MW761.95 g/mol
LogP16.26
Rot. Bonds6

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

N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739600) has the molecular formula C56H35NO2 and a molecular weight of 761.95 g/mol. Its IUPAC name is N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739600
Molecular FormulaC56H35NO2
Molecular Weight761.95 g/mol
Exact Mass761.32
IUPAC NameN-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c1[2H]
InChIInChI=1S/C56H35NO2/c1-3-19-44-37(12-1)14-9-22-45(44)40-16-7-15-39(34-40)36-28-31-42(32-29-36)57(51-25-11-27-53-54(51)50-33-30-38-13-2-4-20-46(38)56(50)59-53)43-18-8-17-41(35-43)47-23-10-24-49-48-21-5-6-26-52(48)58-55(47)49/h1-35H/i8D,17D,18D,28D,29D,31D,32D,35D
InChIKeyIOPDNPSCLZWFKV-DPAUGPMHSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.95
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737962
N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737917
N-(2,3,4,5,6-pentadeuteriophenyl)-N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738760
N-(3-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737795
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738946
N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738724
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-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738205
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-naphthalen-2-ylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738953
N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738971
N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738814

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171739600) is N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(-c2cccc3c2oc2ccccc23)c([2H])c(N(c2c([2H])c([2H])c(-c3cccc(-c4cccc5ccccc45)c3)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c1[2H].
What is the InChIKey of N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is IOPDNPSCLZWFKV-DPAUGPMHSA-N. The full InChI is InChI=1S/C56H35NO2/c1-3-19-44-37(12-1)14-9-22-45(44)40-16-7-15-39(34-40)36-28-31-42(32-29-36)57(51-25-11-27-53-54(51)50-33-30-38-13-2-4-20-46(38)56(50)59-53)43-18-8-17-41(35-43)47-23-10-24-49-48-21-5-6-26-52(48)58-55(47)49/h1-35H/i8D,17D,18D,28D,29D,31D,32D,35D.
What are the key properties of N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 761.95 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).