N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

C42H27NO2 — CID 171434679

IUPACN-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3c(-c4ccccc4)ccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(37-22-12-21-35-33-19-7-9-23-38(33)44-41(35)37)40-32(29-15-5-2-6-16-29)25-26-36-34-20-8-10-24-39(34)45-42(36)40/h1-27H
InChIKeyMCKCQANSZOXURE-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

About N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171434679) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID171434679
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC NameN-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3c(-c4ccccc4)ccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(37-22-12-21-35-33-19-7-9-23-38(33)44-41(35)37)40-32(29-15-5-2-6-16-29)25-26-36-34-20-8-10-24-39(34)45-42(36)40/h1-27H
InChIKeyMCKCQANSZOXURE-UHFFFAOYSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435129
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
CID 171434849
N-dibenzofuran-4-yl-N-(3-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 171728187
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435470

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 171434679) is N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3c(-c4ccccc4)ccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MCKCQANSZOXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(37-22-12-21-35-33-19-7-9-23-38(33)44-41(35)37)40-32(29-15-5-2-6-16-29)25-26-36-34-20-8-10-24-39(34)45-42(36)40/h1-27H.
What are the key properties of N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 577.68 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171434679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).