5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol

C52H38N2O2 — CID 122473560

IUPAC5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
SMILESOc1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2OC2C=CC=CC32)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C52H38N2O2/c55-50-35-39(31-32-44(50)42-33-34-48(43-25-11-10-24-41(42)43)53(37-19-6-2-7-20-37)38-21-8-3-9-22-38)54(47-28-14-12-23-40(47)36-17-4-1-5-18-36)49-29-16-27-46-45-26-13-15-30-51(45)56-52(46)49/h1-35,45,51,55H
InChIKeyWCAGXSNNIUEYRP-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.79
Rot. Bonds8

About 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol

5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol (PubChem CID 122473560) has the molecular formula C52H38N2O2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol.

Molecular Properties

Compound Name5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
PubChem CID122473560
Molecular FormulaC52H38N2O2
Molecular Weight722.89 g/mol
Exact Mass722.29
IUPAC Name5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
SMILESOc1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2OC2C=CC=CC32)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C52H38N2O2/c55-50-35-39(31-32-44(50)42-33-34-48(43-25-11-10-24-41(42)43)53(37-19-6-2-7-20-37)38-21-8-3-9-22-38)54(47-28-14-12-23-40(47)36-17-4-1-5-18-36)49-29-16-27-46-45-26-13-15-30-51(45)56-52(46)49/h1-35,45,51,55H
InChIKeyWCAGXSNNIUEYRP-UHFFFAOYSA-N
XLogP13.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
CID 174280336
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89260922
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
4-[4-[4-[dibenzofuran-4-yl-(2-phenylphenyl)boranyl]phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]-N,N-diphenylaniline;N-[4-[4-(4-diphenylboranylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-yl]phenyl]-N-(2-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-amine
CID 159878640
N,N-diphenyl-6b,10a-dihydrofluoranthen-3-amine
CID 20654645
21-N-(5a,9a-dihydrodibenzofuran-4-yl)-13-N-dibenzofuran-4-yl-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 167065669
3-N-(5a,9a-dihydrodibenzofuran-4-yl)-1-N,5-diphenyl-1-N-(4-phenylphenyl)-3-N-(15,15,30,30-tetramethyl-10,21-dioxaoctacyclo[14.14.0.02,14.03,11.04,9.017,29.020,28.022,27]triaconta-1(16),2(14),3(11),4(9),5,7,12,17(29),18,20(28),22,24,26-tridecaen-8-yl)benzene-1,3-diamine
CID 167154801
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
N-[4-[6-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[2-[3-[2-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158773609
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 174199386
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956

Frequently Asked Questions

What is the IUPAC name of 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol?
The IUPAC name of 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol (CID 122473560) is 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol.
What is the SMILES notation for 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol?
The canonical SMILES for 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol is Oc1cc(N(c2ccccc2-c2ccccc2)c2cccc3c2OC2C=CC=CC32)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol?
The InChIKey is WCAGXSNNIUEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O2/c55-50-35-39(31-32-44(50)42-33-34-48(43-25-11-10-24-41(42)43)53(37-19-6-2-7-20-37)38-21-8-3-9-22-38)54(47-28-14-12-23-40(47)36-17-4-1-5-18-36)49-29-16-27-46-45-26-13-15-30-51(45)56-52(46)49/h1-35,45,51,55H.
What are the key properties of 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol?
5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol has a molecular weight of 722.89 g/mol, XLogP of 13.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol is sourced from PubChem (CID 122473560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).