N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

C46H29NO — CID 169295558

IUPACN,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc4c3c2)cc1
InChIInChI=1S/C46H29NO/c1-3-14-32(15-4-1)47(33-16-5-2-6-17-33)34-24-26-44-42(29-34)43-27-30-13-7-8-18-35(30)45(46(43)48-44)31-23-25-40-38-21-10-9-19-36(38)37-20-11-12-22-39(37)41(40)28-31/h1-29H
InChIKeyGFOWRDIKRCUJPR-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169295558) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169295558
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc4c3c2)cc1
InChIInChI=1S/C46H29NO/c1-3-14-32(15-4-1)47(33-16-5-2-6-17-33)34-24-26-44-42(29-34)43-27-30-13-7-8-18-35(30)45(46(43)48-44)31-23-25-40-38-21-10-9-19-36(38)37-20-11-12-22-39(37)41(40)28-31/h1-29H
InChIKeyGFOWRDIKRCUJPR-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

6-naphthalen-2-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295404
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295898
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
4-[2-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211722
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296213
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296395
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (CID 169295558) is N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is GFOWRDIKRCUJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-3-14-32(15-4-1)47(33-16-5-2-6-17-33)34-24-26-44-42(29-34)43-27-30-13-7-8-18-35(30)45(46(43)48-44)31-23-25-40-38-21-10-9-19-36(38)37-20-11-12-22-39(37)41(40)28-31/h1-29H.
What are the key properties of N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-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,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).