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

C62H39NO — CID 169007230

IUPACN-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C62H39NO/c1-2-15-40(16-3-1)49-31-29-45(38-58(49)51-28-14-21-41-17-6-8-22-47(41)51)63(46-30-32-56-59-35-42-18-4-5-19-43(42)37-61(59)64-62(56)39-46)60-34-33-54(52-25-12-13-27-55(52)60)57-36-44-20-7-9-23-48(44)50-24-10-11-26-53(50)57/h1-39H
InChIKeyIDOACGYTAZFKLF-UHFFFAOYSA-N
MW814.00 g/mol
LogP17.82
Rot. Bonds6

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

N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169007230) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169007230
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C62H39NO/c1-2-15-40(16-3-1)49-31-29-45(38-58(49)51-28-14-21-41-17-6-8-22-47(41)51)63(46-30-32-56-59-35-42-18-4-5-19-43(42)37-61(59)64-62(56)39-46)60-34-33-54(52-25-12-13-27-55(52)60)57-36-44-20-7-9-23-48(44)50-24-10-11-26-53(50)57/h1-39H
InChIKeyIDOACGYTAZFKLF-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 517.82
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

N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007331
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277413
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 170117885
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169007230) is N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is IDOACGYTAZFKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-2-15-40(16-3-1)49-31-29-45(38-58(49)51-28-14-21-41-17-6-8-22-47(41)51)63(46-30-32-56-59-35-42-18-4-5-19-43(42)37-61(59)64-62(56)39-46)60-34-33-54(52-25-12-13-27-55(52)60)57-36-44-20-7-9-23-48(44)50-24-10-11-26-53(50)57/h1-39H.
What are the key properties of N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 814.00 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169007230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).