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

C60H40N2O2 — CID 146582246

IUPACN-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-4-16-41(17-5-1)42-30-37-48(38-31-42)62(56-27-15-25-52-50-23-11-13-29-58(50)64-60(52)56)54-39-34-45(40-53(54)44-18-6-2-7-19-44)43-32-35-47(36-33-43)61(46-20-8-3-9-21-46)55-26-14-24-51-49-22-10-12-28-57(49)63-59(51)55/h1-40H
InChIKeyBXZXEWVWLDUMTN-UHFFFAOYSA-N
MW820.99 g/mol
LogP17.43
Rot. Bonds9

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

N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 146582246) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID146582246
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC NameN-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-4-16-41(17-5-1)42-30-37-48(38-31-42)62(56-27-15-25-52-50-23-11-13-29-58(50)64-60(52)56)54-39-34-45(40-53(54)44-18-6-2-7-19-44)43-32-35-47(36-33-43)61(46-20-8-3-9-21-46)55-26-14-24-51-49-22-10-12-28-57(49)63-59(51)55/h1-40H
InChIKeyBXZXEWVWLDUMTN-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

Analyze N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine (CID 146582246) is N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is BXZXEWVWLDUMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-4-16-41(17-5-1)42-30-37-48(38-31-42)62(56-27-15-25-52-50-23-11-13-29-58(50)64-60(52)56)54-39-34-45(40-53(54)44-18-6-2-7-19-44)43-32-35-47(36-33-43)61(46-20-8-3-9-21-46)55-26-14-24-51-49-22-10-12-28-57(49)63-59(51)55/h1-40H.
What are the key properties of N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-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-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 146582246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).