N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine

C52H35NO2 — CID 167234370

IUPACN-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESC1=Cc2oc3cc(-c4ccc(N(c5cc(-c6cccc7ccccc67)ccc5-c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2CC1
InChIInChI=1S/C52H35NO2/c1-2-12-36(13-3-1)42-30-27-38(41-19-10-15-35-14-4-5-16-40(35)41)32-47(42)53(46-20-11-23-50-52(46)45-18-7-9-22-49(45)54-50)39-28-24-34(25-29-39)37-26-31-44-43-17-6-8-21-48(43)55-51(44)33-37/h1-5,7-16,18-33H,6,17H2
InChIKeyBZMCLZKVAUJZFB-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.92
Rot. Bonds6

About N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine

N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167234370) has the molecular formula C52H35NO2 and a molecular weight of 705.86 g/mol. Its IUPAC name is N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
PubChem CID167234370
Molecular FormulaC52H35NO2
Molecular Weight705.86 g/mol
Exact Mass705.27
IUPAC NameN-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESC1=Cc2oc3cc(-c4ccc(N(c5cc(-c6cccc7ccccc67)ccc5-c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2CC1
InChIInChI=1S/C52H35NO2/c1-2-12-36(13-3-1)42-30-27-38(41-19-10-15-35-14-4-5-16-40(35)41)32-47(42)53(46-20-11-23-50-52(46)45-18-7-9-22-49(45)54-50)39-28-24-34(25-29-39)37-26-31-44-43-17-6-8-21-48(43)55-51(44)33-37/h1-5,7-16,18-33H,6,17H2
InChIKeyBZMCLZKVAUJZFB-UHFFFAOYSA-N
XLogP14.92
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234406
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234637
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine (CID 167234370) is N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine is C1=Cc2oc3cc(-c4ccc(N(c5cc(-c6cccc7ccccc67)ccc5-c5ccccc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2CC1.
What is the InChIKey of N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is BZMCLZKVAUJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2/c1-2-12-36(13-3-1)42-30-27-38(41-19-10-15-35-14-4-5-16-40(35)41)32-47(42)53(46-20-11-23-50-52(46)45-18-7-9-22-49(45)54-50)39-28-24-34(25-29-39)37-26-31-44-43-17-6-8-21-48(43)55-51(44)33-37/h1-5,7-16,18-33H,6,17H2.
What are the key properties of N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine?
N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 705.86 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167234370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).