N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine

C48H33NO — CID 164744369

IUPACN-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c([2H])c1[2H]
InChIInChI=1S/C48H33NO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(46-24-13-23-45-44-22-11-12-25-47(44)50-48(45)46)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35/h1-33H/i1D,3D,4D,7D,9D,14D,15D,18D,20D
InChIKeyUSXVCDKPWKKFDP-XHCDZIRMSA-N
MW648.85 g/mol
LogP13.72
Rot. Bonds7

About N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine

N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 164744369) has the molecular formula C48H33NO and a molecular weight of 648.85 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID164744369
Molecular FormulaC48H33NO
Molecular Weight648.85 g/mol
Exact Mass648.31
IUPAC NameN-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c([2H])c1[2H]
InChIInChI=1S/C48H33NO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(46-24-13-23-45-44-22-11-12-25-47(44)50-48(45)46)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35/h1-33H/i1D,3D,4D,7D,9D,14D,15D,18D,20D
InChIKeyUSXVCDKPWKKFDP-XHCDZIRMSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]phenyl]-6-phenyldibenzofuran-4-amine
CID 167396753
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170676838
N-[16-(2,3,4,5,6-pentadeuteriophenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032595
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine (CID 164744369) is N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)c([2H])c1[2H].
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is USXVCDKPWKKFDP-XHCDZIRMSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(46-24-13-23-45-44-22-11-12-25-47(44)50-48(45)46)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35/h1-33H/i1D,3D,4D,7D,9D,14D,15D,18D,20D.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine?
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 648.85 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 164744369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).