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

C53H41NOS — CID 169029864

IUPACN-(4-phenylphenyl)-N-[8-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-2-yl]dibenzofuran-1-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc24)cc13
InChIInChI=1S/C53H41NOS/c1-52(2)32-53(3,4)45-31-50-43(30-44(45)52)42-28-36(23-27-49(42)56-50)39-16-10-14-35-22-26-38(29-41(35)39)54(37-24-20-34(21-25-37)33-12-6-5-7-13-33)46-17-11-19-48-51(46)40-15-8-9-18-47(40)55-48/h5-31H,32H2,1-4H3
InChIKeyJXFFVAFKQJPYKF-UHFFFAOYSA-N
MW739.98 g/mol
LogP15.87
Rot. Bonds5

About 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

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 (PubChem CID 169029864) has the molecular formula C53H41NOS and a molecular weight of 739.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[8-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-2-yl]dibenzofuran-1-amine
PubChem CID169029864
Molecular FormulaC53H41NOS
Molecular Weight739.98 g/mol
Exact Mass739.29
IUPAC NameN-(4-phenylphenyl)-N-[8-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-2-yl]dibenzofuran-1-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc24)cc13
InChIInChI=1S/C53H41NOS/c1-52(2)32-53(3,4)45-31-50-43(30-44(45)52)42-28-36(23-27-49(42)56-50)39-16-10-14-35-22-26-38(29-41(35)39)54(37-24-20-34(21-25-37)33-12-6-5-7-13-33)46-17-11-19-48-51(46)40-15-8-9-18-47(40)55-48/h5-31H,32H2,1-4H3
InChIKeyJXFFVAFKQJPYKF-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-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 169030142
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 155187007
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
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
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 159106668
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167324801
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(C)(C)c2cc3c(cc21)sc1ccc(-c2cccc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc24)cc13.
What is the InChIKey of 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?
The InChIKey is JXFFVAFKQJPYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NOS/c1-52(2)32-53(3,4)45-31-50-43(30-44(45)52)42-28-36(23-27-49(42)56-50)39-16-10-14-35-22-26-38(29-41(35)39)54(37-24-20-34(21-25-37)33-12-6-5-7-13-33)46-17-11-19-48-51(46)40-15-8-9-18-47(40)55-48/h5-31H,32H2,1-4H3.
What are the key properties of 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?
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 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-[8-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-2-yl]dibenzofuran-1-amine is sourced from PubChem (CID 169029864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).