N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C52H33NO — CID 167277322

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-4-12-44-35(8-1)11-7-15-46(44)38-20-26-42(27-21-38)53(43-28-31-51-50(33-43)49-30-22-37-10-3-6-14-48(37)52(49)54-51)41-24-18-34(19-25-41)39-23-29-47-40(32-39)17-16-36-9-2-5-13-45(36)47/h1-33H
InChIKeyFJYHBLKZLUIXMT-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167277322) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167277322
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-4-12-44-35(8-1)11-7-15-46(44)38-20-26-42(27-21-38)53(43-28-31-51-50(33-43)49-30-22-37-10-3-6-14-48(37)52(49)54-51)41-24-18-34(19-25-41)39-23-29-47-40(32-39)17-16-36-9-2-5-13-45(36)47/h1-33H
InChIKeyFJYHBLKZLUIXMT-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
4-dibenzofuran-2-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(4-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 159634624
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
CID 168804799
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167277322) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is FJYHBLKZLUIXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-4-12-44-35(8-1)11-7-15-46(44)38-20-26-42(27-21-38)53(43-28-31-51-50(33-43)49-30-22-37-10-3-6-14-48(37)52(49)54-51)41-24-18-34(19-25-41)39-23-29-47-40(32-39)17-16-36-9-2-5-13-45(36)47/h1-33H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167277322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).