N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine

C53H41NOS — CID 169030142

IUPACN-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cccc24)cc13
InChIInChI=1S/C53H41NOS/c1-52(2)32-53(3,4)46-31-51-44(30-45(46)52)43-28-35(22-27-50(43)56-51)38-15-10-17-40-39(38)16-11-18-47(40)54(36-23-20-34(21-24-36)33-12-6-5-7-13-33)37-25-26-49-42(29-37)41-14-8-9-19-48(41)55-49/h5-31H,32H2,1-4H3
InChIKeyHPXSEAQMMDULQG-UHFFFAOYSA-N
MW739.98 g/mol
LogP15.87
Rot. Bonds5

About N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine

N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine (PubChem CID 169030142) has the molecular formula C53H41NOS and a molecular weight of 739.98 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
PubChem CID169030142
Molecular FormulaC53H41NOS
Molecular Weight739.98 g/mol
Exact Mass739.29
IUPAC NameN-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cccc24)cc13
InChIInChI=1S/C53H41NOS/c1-52(2)32-53(3,4)46-31-51-44(30-45(46)52)43-28-35(22-27-50(43)56-51)38-15-10-17-40-39(38)16-11-18-47(40)54(36-23-20-34(21-24-36)33-12-6-5-7-13-33)37-25-26-49-42(29-37)41-14-8-9-19-48(41)55-49/h5-31H,32H2,1-4H3
InChIKeyHPXSEAQMMDULQG-UHFFFAOYSA-N
XLogP15.87
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.98
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[8-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-2-yl]dibenzofuran-1-amine
CID 169029864
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158200664
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 135277500
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]triphenylen-2-amine;2-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N-naphthalen-1-yl-7-N-phenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine
CID 162050229
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 159438248
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050212
N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
CID 146588852
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine (CID 169030142) is N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine is CC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cccc24)cc13.
What is the InChIKey of N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The InChIKey is HPXSEAQMMDULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NOS/c1-52(2)32-53(3,4)46-31-51-44(30-45(46)52)43-28-35(22-27-50(43)56-51)38-15-10-17-40-39(38)16-11-18-47(40)54(36-23-20-34(21-24-36)33-12-6-5-7-13-33)37-25-26-49-42(29-37)41-14-8-9-19-48(41)55-49/h5-31H,32H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine?
N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine has a molecular weight of 739.98 g/mol, XLogP of 15.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine is sourced from PubChem (CID 169030142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).