N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

C56H35NO — CID 169295898

IUPACN,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c4c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO/c1-2-14-36(15-3-1)37-26-28-41(29-27-37)57(53-34-40-18-5-8-20-44(40)47-23-12-13-25-49(47)53)42-30-31-54-50(35-42)52-33-39-17-6-9-21-45(39)55(56(52)58-54)51-32-38-16-4-7-19-43(38)46-22-10-11-24-48(46)51/h1-35H
InChIKeyDKDZILMUUWRGRA-UHFFFAOYSA-N
MW737.90 g/mol
LogP16.16
Rot. Bonds5

About N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169295898) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169295898
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC NameN,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c4c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NO/c1-2-14-36(15-3-1)37-26-28-41(29-27-37)57(53-34-40-18-5-8-20-44(40)47-23-12-13-25-49(47)53)42-30-31-54-50(35-42)52-33-39-17-6-9-21-45(39)55(56(52)58-54)51-32-38-16-4-7-19-43(38)46-22-10-11-24-48(46)51/h1-35H
InChIKeyDKDZILMUUWRGRA-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-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295539
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 167143881
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295558
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007721
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213128
N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295286
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931

Frequently Asked Questions

What is the IUPAC name of N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 169295898) is N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c4c3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is DKDZILMUUWRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-2-14-36(15-3-1)37-26-28-41(29-27-37)57(53-34-40-18-5-8-20-44(40)47-23-12-13-25-49(47)53)42-30-31-54-50(35-42)52-33-39-17-6-9-21-45(39)55(56(52)58-54)51-32-38-16-4-7-19-43(38)46-22-10-11-24-48(46)51/h1-35H.
What are the key properties of N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-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,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169295898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).