N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine

C44H33NO — CID 155440734

IUPACN-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=Cc2c(c(-c3ccc(-c4ccccc4)cc3)cc3c2oc2cccc(N(c4ccccc4)C4CC=Cc5ccccc54)c23)CC1
InChIInChI=1S/C44H33NO/c1-3-13-30(14-4-1)31-25-27-33(28-26-31)38-29-39-43-41(23-12-24-42(43)46-44(39)37-21-10-9-20-36(37)38)45(34-17-5-2-6-18-34)40-22-11-16-32-15-7-8-19-35(32)40/h1-8,10-19,21,23-29,40H,9,20,22H2
InChIKeyXNFYNJHRLFLZQK-UHFFFAOYSA-N
MW591.75 g/mol
LogP12.18
Rot. Bonds5

About N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine

N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155440734) has the molecular formula C44H33NO and a molecular weight of 591.75 g/mol. Its IUPAC name is N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155440734
Molecular FormulaC44H33NO
Molecular Weight591.75 g/mol
Exact Mass591.26
IUPAC NameN-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=Cc2c(c(-c3ccc(-c4ccccc4)cc3)cc3c2oc2cccc(N(c4ccccc4)C4CC=Cc5ccccc54)c23)CC1
InChIInChI=1S/C44H33NO/c1-3-13-30(14-4-1)31-25-27-33(28-26-31)38-29-39-43-41(23-12-24-42(43)46-44(39)37-21-10-9-20-36(37)38)45(34-17-5-2-6-18-34)40-22-11-16-32-15-7-8-19-35(32)40/h1-8,10-19,21,23-29,40H,9,20,22H2
InChIKeyXNFYNJHRLFLZQK-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-8-amine
CID 167144302
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
CID 170229367
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 142406198
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 130241224
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
CID 167144656
2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-6,7-dihydrodibenzofuran-3-amine
CID 142406058
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155440781
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine (CID 155440734) is N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine is C1=Cc2c(c(-c3ccc(-c4ccccc4)cc3)cc3c2oc2cccc(N(c4ccccc4)C4CC=Cc5ccccc54)c23)CC1.
What is the InChIKey of N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is XNFYNJHRLFLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO/c1-3-13-30(14-4-1)31-25-27-33(28-26-31)38-29-39-43-41(23-12-24-42(43)46-44(39)37-21-10-9-20-36(37)38)45(34-17-5-2-6-18-34)40-22-11-16-32-15-7-8-19-35(32)40/h1-8,10-19,21,23-29,40H,9,20,22H2.
What are the key properties of N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine?
N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 591.75 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155440734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).