9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine

C52H36N2O — CID 166856414

IUPAC9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3c(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-18-37(19-6-1)40-23-17-28-43(36-40)53(41-24-9-3-10-25-41)50-49(35-34-47-46-33-32-39-22-13-14-30-45(39)51(46)55-52(47)50)54(42-26-11-4-12-27-42)48-31-16-15-29-44(48)38-20-7-2-8-21-38/h1-36H
InChIKeyVQTXRIFBGFXLBC-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine

9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine (PubChem CID 166856414) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine
PubChem CID166856414
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3c(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-18-37(19-6-1)40-23-17-28-43(36-40)53(41-24-9-3-10-25-41)50-49(35-34-47-46-33-32-39-22-13-14-30-45(39)51(46)55-52(47)50)54(42-26-11-4-12-27-42)48-31-16-15-29-44(48)38-20-7-2-8-21-38/h1-36H
InChIKeyVQTXRIFBGFXLBC-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,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
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-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 174274854
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399
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
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
CID 174272949
N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675430
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine?
The IUPAC name of 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine (CID 166856414) is 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine.
What is the SMILES notation for 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine?
The canonical SMILES for 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3c(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)c2)cc1.
What is the InChIKey of 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine?
The InChIKey is VQTXRIFBGFXLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-18-37(19-6-1)40-23-17-28-43(36-40)53(41-24-9-3-10-25-41)50-49(35-34-47-46-33-32-39-22-13-14-30-45(39)51(46)55-52(47)50)54(42-26-11-4-12-27-42)48-31-16-15-29-44(48)38-20-7-2-8-21-38/h1-36H.
What are the key properties of 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine?
9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-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 9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine is sourced from PubChem (CID 166856414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).