N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C46H29NO — CID 167277148

IUPACN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)cccc2c1
InChIInChI=1S/C46H29NO/c1-5-15-37-30(10-1)13-9-19-44(37)47(35-25-27-45-43(29-35)41-26-22-31-11-2-6-16-38(31)46(41)48-45)34-23-20-32(21-24-34)42-28-33-12-3-4-14-36(33)39-17-7-8-18-40(39)42/h1-29H
InChIKeyWWCRBYLBWFZNQC-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167277148) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167277148
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)cccc2c1
InChIInChI=1S/C46H29NO/c1-5-15-37-30(10-1)13-9-19-44(37)47(35-25-27-45-43(29-35)41-26-22-31-11-2-6-16-38(31)46(41)48-45)34-23-20-32(21-24-34)42-28-33-12-3-4-14-36(33)39-17-7-8-18-40(39)42/h1-29H
InChIKeyWWCRBYLBWFZNQC-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
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-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007721
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-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277432
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167277976
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
CID 168804799

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167277148) is N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is WWCRBYLBWFZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-5-15-37-30(10-1)13-9-19-44(37)47(35-25-27-45-43(29-35)41-26-22-31-11-2-6-16-38(31)46(41)48-45)34-23-20-32(21-24-34)42-28-33-12-3-4-14-36(33)39-17-7-8-18-40(39)42/h1-29H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167277148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).