N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C66H41NO2 — CID 166589738

IUPACN-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccc8cc(-c9cccc%10c9oc9ccccc9%10)ccc8c7)ccc6c5)c5ccc6c(c5)oc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C66H41NO2/c1-2-11-42(12-3-1)55-17-8-13-44-14-9-18-56(65(44)55)43-29-32-52(33-30-43)67(54-35-36-60-58-15-4-6-21-62(58)68-64(60)41-54)53-34-31-49-38-46(25-26-50(49)40-53)45-23-24-48-39-51(28-27-47(48)37-45)57-19-10-20-61-59-16-5-7-22-63(59)69-66(57)61/h1-41H
InChIKeyTUBBNSCXALVVCV-UHFFFAOYSA-N
MW880.06 g/mol
LogP19.08
Rot. Bonds7

About N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 166589738) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID166589738
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccc8cc(-c9cccc%10c9oc9ccccc9%10)ccc8c7)ccc6c5)c5ccc6c(c5)oc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C66H41NO2/c1-2-11-42(12-3-1)55-17-8-13-44-14-9-18-56(65(44)55)43-29-32-52(33-30-43)67(54-35-36-60-58-15-4-6-21-62(58)68-64(60)41-54)53-34-31-49-38-46(25-26-50(49)40-53)45-23-24-48-39-51(28-27-47(48)37-45)57-19-10-20-61-59-16-5-7-22-63(59)69-66(57)61/h1-41H
InChIKeyTUBBNSCXALVVCV-UHFFFAOYSA-N
XLogP19.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 177286252
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807244
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 166589738) is N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccc8cc(-c9cccc%10c9oc9ccccc9%10)ccc8c7)ccc6c5)c5ccc6c(c5)oc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is TUBBNSCXALVVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-11-42(12-3-1)55-17-8-13-44-14-9-18-56(65(44)55)43-29-32-52(33-30-43)67(54-35-36-60-58-15-4-6-21-62(58)68-64(60)41-54)53-34-31-49-38-46(25-26-50(49)40-53)45-23-24-48-39-51(28-27-47(48)37-45)57-19-10-20-61-59-16-5-7-22-63(59)69-66(57)61/h1-41H.
What are the key properties of N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 880.06 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166589738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).