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

C50H31NO2 — CID 171738971

IUPACN-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C50H31NO2/c1-3-15-39-33(10-1)12-8-18-40(39)36-13-7-14-38(30-36)51(45-19-9-21-47-49(45)44-29-24-34-11-2-4-16-41(34)50(44)53-47)37-26-22-32(23-27-37)35-25-28-43-42-17-5-6-20-46(42)52-48(43)31-35/h1-31H/i22D,23D,26D,27D
InChIKeyDBAPRQLAYSPATN-MFQHNHDVSA-N
MW681.83 g/mol
LogP14.60
Rot. Bonds5

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

N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738971) has the molecular formula C50H31NO2 and a molecular weight of 681.83 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738971
Molecular FormulaC50H31NO2
Molecular Weight681.83 g/mol
Exact Mass681.26
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C50H31NO2/c1-3-15-39-33(10-1)12-8-18-40(39)36-13-7-14-38(30-36)51(45-19-9-21-47-49(45)44-29-24-34-11-2-4-16-41(34)50(44)53-47)37-26-22-32(23-27-37)35-25-28-43-42-17-5-6-20-46(42)52-48(43)31-35/h1-31H/i22D,23D,26D,27D
InChIKeyDBAPRQLAYSPATN-MFQHNHDVSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.83
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
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-[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-[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-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
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-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of 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) is N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DBAPRQLAYSPATN-MFQHNHDVSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-15-39-33(10-1)12-8-18-40(39)36-13-7-14-38(30-36)51(45-19-9-21-47-49(45)44-29-24-34-11-2-4-16-41(34)50(44)53-47)37-26-22-32(23-27-37)35-25-28-43-42-17-5-6-20-46(42)52-48(43)31-35/h1-31H/i22D,23D,26D,27D.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 681.83 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).