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

C54H35NO — CID 171739514

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1[2H]
InChIInChI=1S/C54H35NO/c1-2-13-42-34-44(27-24-36(42)10-1)43-15-7-16-46(35-43)55(51-20-9-21-52-53(51)50-33-30-40-12-4-6-18-49(40)54(50)56-52)45-31-28-38(29-32-45)37-22-25-41(26-23-37)48-19-8-14-39-11-3-5-17-47(39)48/h1-35H/i7D,15D,16D,35D
InChIKeyDRWDULUBPHSKAG-UKZFVUMVSA-N
MW717.90 g/mol
LogP15.52
Rot. Bonds6

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

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739514) has the molecular formula C54H35NO and a molecular weight of 717.90 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739514
Molecular FormulaC54H35NO
Molecular Weight717.90 g/mol
Exact Mass717.30
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1[2H]
InChIInChI=1S/C54H35NO/c1-2-13-42-34-44(27-24-36(42)10-1)43-15-7-16-46(35-43)55(51-20-9-21-52-53(51)50-33-30-40-12-4-6-18-49(40)54(50)56-52)45-31-28-38(29-32-45)37-22-25-41(26-23-37)48-19-8-14-39-11-3-5-17-47(39)48/h1-35H/i7D,15D,16D,35D
InChIKeyDRWDULUBPHSKAG-UKZFVUMVSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(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-(2,3,4,6-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-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637
N-(4-naphthalen-2-ylphenyl)-N-(2,3,4,5-tetradeuterio-6-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737925
2,3,4,6-tetradeuterio-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171450936
N-(3-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737795
N-(2,3,4,6-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
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-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739514) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(-c2ccc3ccccc3c2)c([2H])c(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1[2H].
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DRWDULUBPHSKAG-UKZFVUMVSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-13-42-34-44(27-24-36(42)10-1)43-15-7-16-46(35-43)55(51-20-9-21-52-53(51)50-33-30-40-12-4-6-18-49(40)54(50)56-52)45-31-28-38(29-32-45)37-22-25-41(26-23-37)48-19-8-14-39-11-3-5-17-47(39)48/h1-35H/i7D,15D,16D,35D.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 717.90 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).