1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine

C66H42N2O2 — CID 159043885

IUPAC1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c(-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C66H42N2O2/c1-3-17-43(18-4-1)47-37-48-38-57(46-19-5-2-6-20-46)62(68(60-30-16-24-45-22-8-10-26-52(45)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)41-50)42-58(48)61(39-47)67(59-29-15-23-44-21-7-9-25-51(44)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)40-49/h1-42H
InChIKeyKNCQWAJXAKOONI-UHFFFAOYSA-N
MW895.07 g/mol
LogP19.22
Rot. Bonds8

About 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine

1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine (PubChem CID 159043885) has the molecular formula C66H42N2O2 and a molecular weight of 895.07 g/mol. Its IUPAC name is 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine.

Molecular Properties

Compound Name1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine
PubChem CID159043885
Molecular FormulaC66H42N2O2
Molecular Weight895.07 g/mol
Exact Mass894.32
IUPAC Name1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c(-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C66H42N2O2/c1-3-17-43(18-4-1)47-37-48-38-57(46-19-5-2-6-20-46)62(68(60-30-16-24-45-22-8-10-26-52(45)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)41-50)42-58(48)61(39-47)67(59-29-15-23-44-21-7-9-25-51(44)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)40-49/h1-42H
InChIKeyKNCQWAJXAKOONI-UHFFFAOYSA-N
XLogP19.22
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.07
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737541
4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(2-phenylphenyl)aniline;4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline;N-(4-dibenzofuran-3-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 160765830
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087

Frequently Asked Questions

What is the IUPAC name of 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine?
The IUPAC name of 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine (CID 159043885) is 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine.
What is the SMILES notation for 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine?
The canonical SMILES for 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine is c1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)c(-c4ccccc4)cc3c2)cc1.
What is the InChIKey of 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine?
The InChIKey is KNCQWAJXAKOONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O2/c1-3-17-43(18-4-1)47-37-48-38-57(46-19-5-2-6-20-46)62(68(60-30-16-24-45-22-8-10-26-52(45)60)50-34-36-56-54-28-12-14-32-64(54)70-66(56)41-50)42-58(48)61(39-47)67(59-29-15-23-44-21-7-9-25-51(44)59)49-33-35-55-53-27-11-13-31-63(53)69-65(55)40-49/h1-42H.
What are the key properties of 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine?
1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine has a molecular weight of 895.07 g/mol, XLogP of 19.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine is sourced from PubChem (CID 159043885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).