N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline

C66H45NO — CID 172501677

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4cc(-c5ccccc5)ccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H45NO/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-54(42-39-50)67(55-25-16-24-53(44-55)57-30-17-31-62-61-29-13-15-33-65(61)68-66(57)62)64-32-14-12-28-60(64)63-45-52(47-20-6-2-7-21-47)40-43-59(63)58-27-11-10-26-56(58)51-22-8-3-9-23-51/h1-45H
InChIKeyBMWYHRSWLQHPAN-UHFFFAOYSA-N
MW868.09 g/mol
LogP18.72
Rot. Bonds10

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501677) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
PubChem CID172501677
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4cc(-c5ccccc5)ccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C66H45NO/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-54(42-39-50)67(55-25-16-24-53(44-55)57-30-17-31-62-61-29-13-15-33-65(61)68-66(57)62)64-32-14-12-28-60(64)63-45-52(47-20-6-2-7-21-47)40-43-59(63)58-27-11-10-26-56(58)51-22-8-3-9-23-51/h1-45H
InChIKeyBMWYHRSWLQHPAN-UHFFFAOYSA-N
XLogP18.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline (CID 172501677) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccccc4-c4cc(-c5ccccc5)ccc4-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is BMWYHRSWLQHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-54(42-39-50)67(55-25-16-24-53(44-55)57-30-17-31-62-61-29-13-15-33-65(61)68-66(57)62)64-32-14-12-28-60(64)63-45-52(47-20-6-2-7-21-47)40-43-59(63)58-27-11-10-26-56(58)51-22-8-3-9-23-51/h1-45H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline?
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 868.09 g/mol, XLogP of 18.72, 10 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-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).