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

C48H32N2O2 — CID 71126744

IUPACN-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h1-32H
InChIKeyCNSXSWQDZNJJSR-UHFFFAOYSA-N
MW668.80 g/mol
LogP14.09
Rot. Bonds7

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

N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 71126744) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID71126744
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC NameN-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h1-32H
InChIKeyCNSXSWQDZNJJSR-UHFFFAOYSA-N
XLogP14.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine (CID 71126744) is N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is CNSXSWQDZNJJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-3-13-35(14-4-1)49(36-15-5-2-6-16-36)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h1-32H.
What are the key properties of N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine?
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 668.80 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 71126744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).