N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

C60H40N2O2 — CID 167087215

IUPACN-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H40N2O2/c1-3-20-41(21-4-1)45-26-7-12-33-52(45)61(55-36-18-31-50-48-29-10-15-38-57(48)63-59(50)55)44-25-17-24-43(40-44)47-28-9-14-35-54(47)62(53-34-13-8-27-46(53)42-22-5-2-6-23-42)56-37-19-32-51-49-30-11-16-39-58(49)64-60(51)56/h1-40H
InChIKeyOONKICYGSCGZNM-UHFFFAOYSA-N
MW820.99 g/mol
LogP17.43
Rot. Bonds9

About N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167087215) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID167087215
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC NameN-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H40N2O2/c1-3-20-41(21-4-1)45-26-7-12-33-52(45)61(55-36-18-31-50-48-29-10-15-38-57(48)63-59(50)55)44-25-17-24-43(40-44)47-28-9-14-35-54(47)62(53-34-13-8-27-46(53)42-22-5-2-6-23-42)56-37-19-32-51-49-30-11-16-39-58(49)64-60(51)56/h1-40H
InChIKeyOONKICYGSCGZNM-UHFFFAOYSA-N
XLogP17.43
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167086378
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260528
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 167087215) is N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is OONKICYGSCGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-3-20-41(21-4-1)45-26-7-12-33-52(45)61(55-36-18-31-50-48-29-10-15-38-57(48)63-59(50)55)44-25-17-24-43(40-44)47-28-9-14-35-54(47)62(53-34-13-8-27-46(53)42-22-5-2-6-23-42)56-37-19-32-51-49-30-11-16-39-58(49)64-60(51)56/h1-40H.
What are the key properties of N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 820.99 g/mol, XLogP of 17.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167087215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).