N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline

C104H73ClN4O2 — CID 163838546

IUPACN-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
SMILESClc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3cccc4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(Nc2ccc(-c3ccccc3)cc2)c([2H])c1[2H]
InChIInChI=1S/C52H36N2O.C34H22ClNO.C18H15N/c1-4-15-37(16-5-1)38-27-29-43(30-28-38)53(41-19-6-2-7-20-41)45-33-40(48-25-14-18-39-17-10-11-23-47(39)48)34-46(35-45)54(42-21-8-3-9-22-42)44-31-32-52-50(36-44)49-24-12-13-26-51(49)55-52;35-25-19-24(30-15-8-10-23-9-4-5-13-29(23)30)20-28(21-25)36(26-11-2-1-3-12-26)27-17-18-34-32(22-27)31-14-6-7-16-33(31)37-34;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-36H;1-22H;1-14,19H/i2D,6D,7D,19D,20D;;2D,5D,6D,9D,10D
InChIKeyOJXJVUKZKUVWDK-BILRSUDWSA-N
MW1456.27 g/mol
LogP30.64
Rot. Bonds15

About N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline

N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline (PubChem CID 163838546) has the molecular formula C104H73ClN4O2 and a molecular weight of 1456.27 g/mol. Its IUPAC name is N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
PubChem CID163838546
Molecular FormulaC104H73ClN4O2
Molecular Weight1456.27 g/mol
Exact Mass1454.60
IUPAC NameN-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
SMILESClc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3cccc4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(Nc2ccc(-c3ccccc3)cc2)c([2H])c1[2H]
InChIInChI=1S/C52H36N2O.C34H22ClNO.C18H15N/c1-4-15-37(16-5-1)38-27-29-43(30-28-38)53(41-19-6-2-7-20-41)45-33-40(48-25-14-18-39-17-10-11-23-47(39)48)34-46(35-45)54(42-21-8-3-9-22-42)44-31-32-52-50(36-44)49-24-12-13-26-51(49)55-52;35-25-19-24(30-15-8-10-23-9-4-5-13-29(23)30)20-28(21-25)36(26-11-2-1-3-12-26)27-17-18-34-32(22-27)31-14-6-7-16-33(31)37-34;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-36H;1-22H;1-14,19H/i2D,6D,7D,19D,20D;;2D,5D,6D,9D,10D
InChIKeyOJXJVUKZKUVWDK-BILRSUDWSA-N
XLogP30.64
TPSA48.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001456.27
LogP ≤ 530.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
3-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 170535174
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]-N-phenyldibenzofuran-2-amine
CID 146588912
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline (CID 163838546) is N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline is Clc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1.[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3cccc4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(Nc2ccc(-c3ccccc3)cc2)c([2H])c1[2H].
What is the InChIKey of N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The InChIKey is OJXJVUKZKUVWDK-BILRSUDWSA-N. The full InChI is InChI=1S/C52H36N2O.C34H22ClNO.C18H15N/c1-4-15-37(16-5-1)38-27-29-43(30-28-38)53(41-19-6-2-7-20-41)45-33-40(48-25-14-18-39-17-10-11-23-47(39)48)34-46(35-45)54(42-21-8-3-9-22-42)44-31-32-52-50(36-44)49-24-12-13-26-51(49)55-52;35-25-19-24(30-15-8-10-23-9-4-5-13-29(23)30)20-28(21-25)36(26-11-2-1-3-12-26)27-17-18-34-32(22-27)31-14-6-7-16-33(31)37-34;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-36H;1-22H;1-14,19H/i2D,6D,7D,19D,20D;;2D,5D,6D,9D,10D.
What are the key properties of N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline has a molecular weight of 1456.27 g/mol, XLogP of 30.64, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine;3-N-dibenzofuran-2-yl-5-naphthalen-1-yl-1-N-(2,3,4,5,6-pentadeuteriophenyl)-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine;2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163838546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).