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

C52H33NO — CID 169296304

IUPACN-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-13-34(14-3-1)36-25-28-40(29-26-36)53(41-30-27-35-15-4-5-16-37(35)31-41)48-23-12-24-49-51(48)47-33-39-18-7-9-20-43(39)50(52(47)54-49)46-32-38-17-6-8-19-42(38)44-21-10-11-22-45(44)46/h1-33H
InChIKeyVNXXMIWAJQMZDP-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

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

N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169296304) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169296304
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-13-34(14-3-1)36-25-28-40(29-26-36)53(41-30-27-35-15-4-5-16-37(35)31-41)48-23-12-24-49-51(48)47-33-39-18-7-9-20-43(39)50(52(47)54-49)46-32-38-17-6-8-19-42(38)44-21-10-11-22-45(44)46/h1-33H
InChIKeyVNXXMIWAJQMZDP-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

6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295868
6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295539
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296395
N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295898
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531
N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320717
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-naphthalen-2-yl-N,5-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 160848679

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 169296304) is N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is VNXXMIWAJQMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-13-34(14-3-1)36-25-28-40(29-26-36)53(41-30-27-35-15-4-5-16-37(35)31-41)48-23-12-24-49-51(48)47-33-39-18-7-9-20-43(39)50(52(47)54-49)46-32-38-17-6-8-19-42(38)44-21-10-11-22-45(44)46/h1-33H.
What are the key properties of N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-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-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169296304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).