1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine

C52H36N2O — CID 166856790

IUPAC1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6ccccc6cc5c4c3N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)39-23-15-29-45(33-39)53(43-25-9-3-10-26-43)48-31-32-49-51(47-35-41-21-13-14-22-42(41)36-50(47)55-49)52(48)54(44-27-11-4-12-28-44)46-30-16-24-40(34-46)38-19-7-2-8-20-38/h1-36H
InChIKeyAPBNCTVMFPIJMM-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine

1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine (PubChem CID 166856790) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine
PubChem CID166856790
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6ccccc6cc5c4c3N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)39-23-15-29-45(33-39)53(43-25-9-3-10-26-43)48-31-32-49-51(47-35-41-21-13-14-22-42(41)36-50(47)55-49)52(48)54(44-27-11-4-12-28-44)46-30-16-24-40(34-46)38-19-7-2-8-20-38/h1-36H
InChIKeyAPBNCTVMFPIJMM-UHFFFAOYSA-N
XLogP15.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
CID 166856777
8-N,23-N-dinaphthalen-1-yl-8-N,23-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360628
9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856280
3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 166915998
N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 176616692
2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine
CID 163861720
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
9-N,23-N-bis(2,4-diphenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360309
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine?
The IUPAC name of 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine (CID 166856790) is 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine?
The canonical SMILES for 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4oc5cc6ccccc6cc5c4c3N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine?
The InChIKey is APBNCTVMFPIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-17-37(18-6-1)39-23-15-29-45(33-39)53(43-25-9-3-10-26-43)48-31-32-49-51(47-35-41-21-13-14-22-42(41)36-50(47)55-49)52(48)54(44-27-11-4-12-28-44)46-30-16-24-40(34-46)38-19-7-2-8-20-38/h1-36H.
What are the key properties of 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine?
1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine has a molecular weight of 704.87 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine is sourced from PubChem (CID 166856790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).