N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine

C54H38N2O — CID 155440723

IUPACN-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=C(N(c2ccccc2)c2cccc3ccccc23)c2ccccc2C2Oc3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3C12
InChIInChI=1S/C54H38N2O/c1-3-22-40(23-4-1)55(49-32-14-19-37-17-7-9-27-43(37)49)42-26-13-21-39(35-42)45-31-16-34-52-53(45)48-36-51(46-29-11-12-30-47(46)54(48)57-52)56(41-24-5-2-6-25-41)50-33-15-20-38-18-8-10-28-44(38)50/h1-36,48,54H
InChIKeyLSOMDRZNTKBEBA-UHFFFAOYSA-N
MW730.91 g/mol
LogP14.54
Rot. Bonds7

About N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine

N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155440723) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155440723
Molecular FormulaC54H38N2O
Molecular Weight730.91 g/mol
Exact Mass730.30
IUPAC NameN-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=C(N(c2ccccc2)c2cccc3ccccc23)c2ccccc2C2Oc3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3C12
InChIInChI=1S/C54H38N2O/c1-3-22-40(23-4-1)55(49-32-14-19-37-17-7-9-27-43(37)49)42-26-13-21-39(35-42)45-31-16-34-52-53(45)48-36-51(46-29-11-12-30-47(46)54(48)57-52)56(41-24-5-2-6-25-41)50-33-15-20-38-18-8-10-28-44(38)50/h1-36,48,54H
InChIKeyLSOMDRZNTKBEBA-UHFFFAOYSA-N
XLogP14.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N-naphthalen-1-yl-5-phenyl-N-[2-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-amine
CID 170282165
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063313
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-phenyl-N-[3-[12-[3-(N-phenylanilino)phenyl]tetracen-5-yl]phenyl]naphthalen-1-amine
CID 59987787
N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327934
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine (CID 155440723) is N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine is C1=C(N(c2ccccc2)c2cccc3ccccc23)c2ccccc2C2Oc3cccc(-c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3C12.
What is the InChIKey of N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is LSOMDRZNTKBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-3-22-40(23-4-1)55(49-32-14-19-37-17-7-9-27-43(37)49)42-26-13-21-39(35-42)45-31-16-34-52-53(45)48-36-51(46-29-11-12-30-47(46)54(48)57-52)56(41-24-5-2-6-25-41)50-33-15-20-38-18-8-10-28-44(38)50/h1-36,48,54H.
What are the key properties of N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 730.91 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-7-[3-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155440723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).