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

C50H31NO2 — CID 171738542

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2ccccc12
InChIInChI=1S/C50H31NO2/c1-3-13-38-32(10-1)12-7-16-39(38)34-22-27-36(28-23-34)51(44-18-9-21-47-49(44)43-31-26-33-11-2-4-14-41(33)50(43)53-47)37-29-24-35(25-30-37)40-17-8-20-46-48(40)42-15-5-6-19-45(42)52-46/h1-31H/i22D,23D,27D,28D
InChIKeyRZIBUANIXBQAJI-XVSLVTPKSA-N
MW681.83 g/mol
LogP14.60
Rot. Bonds5

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

N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738542) has the molecular formula C50H31NO2 and a molecular weight of 681.83 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738542
Molecular FormulaC50H31NO2
Molecular Weight681.83 g/mol
Exact Mass681.26
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2ccccc12
InChIInChI=1S/C50H31NO2/c1-3-13-38-32(10-1)12-7-16-39(38)34-22-27-36(28-23-34)51(44-18-9-21-47-49(44)43-31-26-33-11-2-4-14-41(33)50(43)53-47)37-29-24-35(25-30-37)40-17-8-20-46-48(40)42-15-5-6-19-45(42)52-46/h1-31H/i22D,23D,27D,28D
InChIKeyRZIBUANIXBQAJI-XVSLVTPKSA-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-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
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
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-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738531
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810388
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737639
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
2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810450
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-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804014

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738542) is N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2ccccc12.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is RZIBUANIXBQAJI-XVSLVTPKSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-13-38-32(10-1)12-7-16-39(38)34-22-27-36(28-23-34)51(44-18-9-21-47-49(44)43-31-26-33-11-2-4-14-41(33)50(43)53-47)37-29-24-35(25-30-37)40-17-8-20-46-48(40)42-15-5-6-19-45(42)52-46/h1-31H/i22D,23D,27D,28D.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-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-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).