N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline

C48H33NO — CID 168789688

IUPACN-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-17-34(18-5-1)39-25-10-11-27-43(39)47-40(35-19-6-2-7-20-35)28-16-31-45(47)49(37-22-8-3-9-23-37)38-24-14-21-36(33-38)41-29-15-30-44-42-26-12-13-32-46(42)50-48(41)44/h1-33H
InChIKeyVXOJZFJDVNCTBA-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline

N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789688) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
PubChem CID168789688
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-17-34(18-5-1)39-25-10-11-27-43(39)47-40(35-19-6-2-7-20-35)28-16-31-45(47)49(37-22-8-3-9-23-37)38-24-14-21-36(33-38)41-29-15-30-44-42-26-12-13-32-46(42)50-48(41)44/h1-33H
InChIKeyVXOJZFJDVNCTBA-UHFFFAOYSA-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 ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789772
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
5-dibenzofuran-4-yl-1-N,1-N,3-N,3-N-tetraphenyl-4-(2-phenylphenyl)benzene-1,3-diamine
CID 118004686
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline (CID 168789688) is N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline?
The InChIKey is VXOJZFJDVNCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-17-34(18-5-1)39-25-10-11-27-43(39)47-40(35-19-6-2-7-20-35)28-16-31-45(47)49(37-22-8-3-9-23-37)38-24-14-21-36(33-38)41-29-15-30-44-42-26-12-13-32-46(42)50-48(41)44/h1-33H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline?
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline has a molecular weight of 639.80 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-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).