N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C52H33NO — CID 169007721

IUPACN-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c(-c5cc6ccccc6c6ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-12-34(13-3-1)35-24-27-38(28-25-35)53(39-29-31-51-49(33-39)47-30-26-36-14-4-7-17-41(36)52(47)54-51)50-23-11-21-43-45(20-10-22-46(43)50)48-32-37-15-5-6-16-40(37)42-18-8-9-19-44(42)48/h1-33H
InChIKeyOAMFVVGFSOAYEX-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 169007721) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID169007721
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c(-c5cc6ccccc6c6ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-12-34(13-3-1)35-24-27-38(28-25-35)53(39-29-31-51-49(33-39)47-30-26-36-14-4-7-17-41(36)52(47)54-51)50-23-11-21-43-45(20-10-22-46(43)50)48-32-37-15-5-6-16-40(37)42-18-8-9-19-44(42)48/h1-33H
InChIKeyOAMFVVGFSOAYEX-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-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277148
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277413
N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
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-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277432
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322

Frequently Asked Questions

What is the IUPAC name of N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 169007721) is N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccc4oc5c6ccccc6ccc5c4c3)c3cccc4c(-c5cc6ccccc6c6ccccc56)cccc34)cc2)cc1.
What is the InChIKey of N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is OAMFVVGFSOAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-12-34(13-3-1)35-24-27-38(28-25-35)53(39-29-31-51-49(33-39)47-30-26-36-14-4-7-17-41(36)52(47)54-51)50-23-11-21-43-45(20-10-22-46(43)50)48-32-37-15-5-6-16-40(37)42-18-8-9-19-44(42)48/h1-33H.
What are the key properties of N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)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-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 169007721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).