N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

C52H33NO2 — CID 129085302

IUPACN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-12-25-50(43)55-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-11-24-49(44)54-51/h1-33H
InChIKeySEUNNSOYDYULAV-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (PubChem CID 129085302) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
PubChem CID129085302
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-12-25-50(43)55-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-11-24-49(44)54-51/h1-33H
InChIKeySEUNNSOYDYULAV-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085301
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402575
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
CID 155304515
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
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-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
CID 170665817

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (CID 129085302) is N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The InChIKey is SEUNNSOYDYULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-12-25-50(43)55-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-11-24-49(44)54-51/h1-33H.
What are the key properties of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 129085302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).