N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine

C55H37NOS — CID 177122067

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-17-7-5-14-45(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-43-44-31-25-35-11-3-4-12-41(35)53(44)58-54(43)49)38-27-21-34(22-28-38)37-26-32-51-46(33-37)42-13-6-8-20-50(42)57-51/h3-33H,1-2H3
InChIKeyBBAYNSRGYDJUBY-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine (PubChem CID 177122067) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
PubChem CID177122067
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-17-7-5-14-45(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-43-44-31-25-35-11-3-4-12-41(35)53(44)58-54(43)49)38-27-21-34(22-28-38)37-26-32-51-46(33-37)42-13-6-8-20-50(42)57-51/h3-33H,1-2H3
InChIKeyBBAYNSRGYDJUBY-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.97
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121517
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170665882
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170138885
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine (CID 177122067) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine?
The InChIKey is BBAYNSRGYDJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)47-17-7-5-14-45(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-43-44-31-25-35-11-3-4-12-41(35)53(44)58-54(43)49)38-27-21-34(22-28-38)37-26-32-51-46(33-37)42-13-6-8-20-50(42)57-51/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine has a molecular weight of 759.97 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 177122067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).