N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine

C52H35NO — CID 168772034

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)cc2)c([2H])c1[2H]
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)37-26-30-42(31-27-37)53(43-32-28-41(29-33-43)45-23-12-21-38-20-10-11-22-44(38)45)49-35-34-46(39-16-6-2-7-17-39)50-48-25-13-24-47(51(48)54-52(49)50)40-18-8-3-9-19-40/h1-35H/i1D,4D,5D,14D,15D
InChIKeyQCJIASHBVATLAC-KMIUACPRSA-N
MW694.89 g/mol
LogP14.88
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine (PubChem CID 168772034) has the molecular formula C52H35NO and a molecular weight of 694.89 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
PubChem CID168772034
Molecular FormulaC52H35NO
Molecular Weight694.89 g/mol
Exact Mass694.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)cc2)c([2H])c1[2H]
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)37-26-30-42(31-27-37)53(43-32-28-41(29-33-43)45-23-12-21-38-20-10-11-22-44(38)45)49-35-34-46(39-16-6-2-7-17-39)50-48-25-13-24-47(51(48)54-52(49)50)40-18-8-3-9-19-40/h1-35H/i1D,4D,5D,14D,15D
InChIKeyQCJIASHBVATLAC-KMIUACPRSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.89
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
CID 168771854
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162
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-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171452396
6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168772122
2,3,5,6-tetradeuterio-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527428
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808413
N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
3-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 170535174
N,4-diphenyl-N-[4-[2-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[3-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-[4-[4-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylaniline
CID 158064872

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine (CID 168772034) is N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)c4c3oc3c(-c5ccccc5)cccc34)cc2)c([2H])c1[2H].
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine?
The InChIKey is QCJIASHBVATLAC-KMIUACPRSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-14-36(15-5-1)37-26-30-42(31-27-37)53(43-32-28-41(29-33-43)45-23-12-21-38-20-10-11-22-44(38)45)49-35-34-46(39-16-6-2-7-17-39)50-48-25-13-24-47(51(48)54-52(49)50)40-18-8-3-9-19-40/h1-35H/i1D,4D,5D,14D,15D.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine has a molecular weight of 694.89 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 168772034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).