N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine

C60H42N2O — CID 176611362

IUPACN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-6-18-43(19-7-1)55-42-58(46-32-36-51(37-33-46)62(49-26-14-5-15-27-49)52-38-39-54-53-28-16-17-29-59(53)63-60(54)40-52)56(44-20-8-2-9-21-44)41-57(55)45-30-34-50(35-31-45)61(47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-42H
InChIKeyBVQNURNCUFGHGJ-UHFFFAOYSA-N
MW807.01 g/mol
LogP17.19
Rot. Bonds10

About N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine

N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 176611362) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID176611362
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC NameN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H42N2O/c1-6-18-43(19-7-1)55-42-58(46-32-36-51(37-33-46)62(49-26-14-5-15-27-49)52-38-39-54-53-28-16-17-29-59(53)63-60(54)40-52)56(44-20-8-2-9-21-44)41-57(55)45-30-34-50(35-31-45)61(47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-42H
InChIKeyBVQNURNCUFGHGJ-UHFFFAOYSA-N
XLogP17.19
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine (CID 176611362) is N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is BVQNURNCUFGHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-6-18-43(19-7-1)55-42-58(46-32-36-51(37-33-46)62(49-26-14-5-15-27-49)52-38-39-54-53-28-16-17-29-59(53)63-60(54)40-52)56(44-20-8-2-9-21-44)41-57(55)45-30-34-50(35-31-45)61(47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-42H.
What are the key properties of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 807.01 g/mol, XLogP of 17.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176611362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).