8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine

C52H36N2O — CID 166856399

IUPAC8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)50-36-44(35-48-47-34-31-40-21-13-14-27-46(40)51(47)55-52(48)50)54(42-24-11-4-12-25-42)49-28-16-15-26-45(49)39-19-7-2-8-20-39/h1-36H
InChIKeyBAOOPEQYWNWDQJ-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine

8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine (PubChem CID 166856399) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine.

Molecular Properties

Compound Name8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
PubChem CID166856399
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)50-36-44(35-48-47-34-31-40-21-13-14-27-46(40)51(47)55-52(48)50)54(42-24-11-4-12-25-42)49-28-16-15-26-45(49)39-19-7-2-8-20-39/h1-36H
InChIKeyBAOOPEQYWNWDQJ-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

N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856374
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 174274854
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735

Frequently Asked Questions

What is the IUPAC name of 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The IUPAC name of 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine (CID 166856399) is 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine.
What is the SMILES notation for 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The canonical SMILES for 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The InChIKey is BAOOPEQYWNWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)50-36-44(35-48-47-34-31-40-21-13-14-27-46(40)51(47)55-52(48)50)54(42-24-11-4-12-25-42)49-28-16-15-26-45(49)39-19-7-2-8-20-39/h1-36H.
What are the key properties of 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-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 8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine is sourced from PubChem (CID 166856399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).