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

C60H40N2O2 — CID 167086852

IUPACN-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-15-41(16-4-1)43-27-31-45(32-28-43)61(47-35-37-53-51-21-9-13-25-57(51)63-59(53)39-47)55-23-11-7-19-49(55)50-20-8-12-24-56(50)62(46-33-29-44(30-34-46)42-17-5-2-6-18-42)48-36-38-54-52-22-10-14-26-58(52)64-60(54)40-48/h1-40H
InChIKeyLOLMIFOLNWYBIL-UHFFFAOYSA-N
MW820.99 g/mol
LogP17.43
Rot. Bonds9

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

N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167086852) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID167086852
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC NameN-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-15-41(16-4-1)43-27-31-45(32-28-43)61(47-35-37-53-51-21-9-13-25-57(51)63-59(53)39-47)55-23-11-7-19-49(55)50-20-8-12-24-56(50)62(46-33-29-44(30-34-46)42-17-5-2-6-18-42)48-36-38-54-52-22-10-14-26-58(52)64-60(54)40-48/h1-40H
InChIKeyLOLMIFOLNWYBIL-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-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 122539866
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 167086852) is N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is LOLMIFOLNWYBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-3-15-41(16-4-1)43-27-31-45(32-28-43)61(47-35-37-53-51-21-9-13-25-57(51)63-59(53)39-47)55-23-11-7-19-49(55)50-20-8-12-24-56(50)62(46-33-29-44(30-34-46)42-17-5-2-6-18-42)48-36-38-54-52-22-10-14-26-58(52)64-60(54)40-48/h1-40H.
What are the key properties of N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-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-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167086852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).