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

C46H29NO — CID 167031792

IUPACN-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3oc4cc5ccccc5cc4c23)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C46H29NO/c1-2-13-31-26-35(25-24-30(31)12-1)47(43-22-11-23-44-46(43)41-27-32-14-3-4-15-33(32)29-45(41)48-44)42-21-10-9-20-39(42)40-28-34-16-5-6-17-36(34)37-18-7-8-19-38(37)40/h1-29H
InChIKeyGQZHQZONLUKQIC-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

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

N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 167031792) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID167031792
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3oc4cc5ccccc5cc4c23)c(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C46H29NO/c1-2-13-31-26-35(25-24-30(31)12-1)47(43-22-11-23-44-46(43)41-27-32-14-3-4-15-33(32)29-45(41)48-44)42-21-10-9-20-39(42)40-28-34-16-5-6-17-36(34)37-18-7-8-19-38(37)40/h1-29H
InChIKeyGQZHQZONLUKQIC-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-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-phenanthren-2-yl-7-[1-[2-(4-phenanthren-1-yl-N-phenanthren-2-ylanilino)phenyl]naphtho[7,6-b][1]benzofuran-7-yl]phenanthren-2-amine
CID 174271464
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167182049
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-9-ylphenanthren-2-amine
CID 174275538
N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007356
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 172503017
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
CID 174275128
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 167031792) is N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3oc4cc5ccccc5cc4c23)c(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is GQZHQZONLUKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-13-31-26-35(25-24-30(31)12-1)47(43-22-11-23-44-46(43)41-27-32-14-3-4-15-33(32)29-45(41)48-44)42-21-10-9-20-39(42)40-28-34-16-5-6-17-36(34)37-18-7-8-19-38(37)40/h1-29H.
What are the key properties of N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-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-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 167031792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).