8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine

C52H34N2O2 — CID 146573619

IUPAC8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4c23)cc1
InChIInChI=1S/C52H34N2O2/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-33-42(29-31-49(46)55-50)53(43-28-30-45-44-18-9-10-20-48(44)56-51(45)34-43)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H
InChIKeyMYNITXWNPXVQKY-UHFFFAOYSA-N
MW718.86 g/mol
LogP15.25
Rot. Bonds7

About 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine

8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine (PubChem CID 146573619) has the molecular formula C52H34N2O2 and a molecular weight of 718.86 g/mol. Its IUPAC name is 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine.

Molecular Properties

Compound Name8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
PubChem CID146573619
Molecular FormulaC52H34N2O2
Molecular Weight718.86 g/mol
Exact Mass718.26
IUPAC Name8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4c23)cc1
InChIInChI=1S/C52H34N2O2/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-33-42(29-31-49(46)55-50)53(43-28-30-45-44-18-9-10-20-48(44)56-51(45)34-43)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H
InChIKeyMYNITXWNPXVQKY-UHFFFAOYSA-N
XLogP15.25
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The IUPAC name of 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine (CID 146573619) is 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine.
What is the SMILES notation for 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The canonical SMILES for 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine is c1ccc(N(c2ccccc2)c2cccc3oc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4c23)cc1.
What is the InChIKey of 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The InChIKey is MYNITXWNPXVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O2/c1-3-14-39(15-4-1)54(40-16-5-2-6-17-40)47-19-11-21-50-52(47)46-33-42(29-31-49(46)55-50)53(43-28-30-45-44-18-9-10-20-48(44)56-51(45)34-43)41-26-24-36(25-27-41)38-23-22-35-12-7-8-13-37(35)32-38/h1-34H.
What are the key properties of 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine has a molecular weight of 718.86 g/mol, XLogP of 15.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine is sourced from PubChem (CID 146573619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).