8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine

C52H36N2O — CID 166856374

IUPAC8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(33-40)53(42-24-9-3-10-25-42)46-35-49-48-32-31-39-21-13-14-30-47(39)51(48)55-52(49)50(36-46)54(43-26-11-4-12-27-43)45-29-16-23-41(34-45)38-19-7-2-8-20-38/h1-36H
InChIKeyMRTXNKVNLMQWJB-UHFFFAOYSA-N
MW704.87 g/mol
LogP15.01
Rot. Bonds8

About 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine

8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine (PubChem CID 166856374) 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,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine.

Molecular Properties

Compound Name8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
PubChem CID166856374
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(33-40)53(42-24-9-3-10-25-42)46-35-49-48-32-31-39-21-13-14-30-47(39)51(48)55-52(49)50(36-46)54(43-26-11-4-12-27-43)45-29-16-23-41(34-45)38-19-7-2-8-20-38/h1-36H
InChIKeyMRTXNKVNLMQWJB-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

Analyze 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine with MolForge

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Related Compounds

8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
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,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N-chrysen-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170131049
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
8-N,8-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8,10-diamine
CID 166915541
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783

Frequently Asked Questions

What is the IUPAC name of 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The IUPAC name of 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine (CID 166856374) is 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine.
What is the SMILES notation for 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The canonical SMILES for 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4oc5c6ccccc6ccc5c4c3)c2)cc1.
What is the InChIKey of 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
The InChIKey is MRTXNKVNLMQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-17-37(18-6-1)40-22-15-28-44(33-40)53(42-24-9-3-10-25-42)46-35-49-48-32-31-39-21-13-14-30-47(39)51(48)55-52(49)50(36-46)54(43-26-11-4-12-27-43)45-29-16-23-41(34-45)38-19-7-2-8-20-38/h1-36H.
What are the key properties of 8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine?
8-N,10-N-diphenyl-8-N,10-N-bis(3-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,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine is sourced from PubChem (CID 166856374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).