N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

C56H35NO — CID 169296395

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C56H35NO/c1-2-13-36(14-3-1)38-25-29-42(30-26-38)57(43-31-27-37-15-4-5-16-39(37)33-43)53-24-12-23-50-52-34-40-17-6-7-18-44(40)54(56(52)58-55(50)53)41-28-32-49-47-21-9-8-19-45(47)46-20-10-11-22-48(46)51(49)35-41/h1-35H
InChIKeyHGLKFWXOTLRRIE-UHFFFAOYSA-N
MW737.90 g/mol
LogP16.16
Rot. Bonds5

About N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169296395) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169296395
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C56H35NO/c1-2-13-36(14-3-1)38-25-29-42(30-26-38)57(43-31-27-37-15-4-5-16-39(37)33-43)53-24-12-23-50-52-34-40-17-6-7-18-44(40)54(56(52)58-55(50)53)41-28-32-49-47-21-9-8-19-45(47)46-20-10-11-22-48(46)51(49)35-41/h1-35H
InChIKeyHGLKFWXOTLRRIE-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.90
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295539
N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295286
N-naphthalen-2-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-amine
CID 130466786
N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433613
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169063295
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167253410
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (CID 169296395) is N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is HGLKFWXOTLRRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-2-13-36(14-3-1)38-25-29-42(30-26-38)57(43-31-27-37-15-4-5-16-39(37)33-43)53-24-12-23-50-52-34-40-17-6-7-18-44(40)54(56(52)58-55(50)53)41-28-32-49-47-21-9-8-19-45(47)46-20-10-11-22-48(46)51(49)35-41/h1-35H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 737.90 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169296395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).