N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C61H41NOS — CID 170665882

IUPACN-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccc4sc5c6ccccc6ccc5c4c3)cccc21
InChIInChI=1S/C61H41NOS/c1-61(2)51-24-10-8-20-49(51)58-52(61)25-14-27-54(58)62(42-33-29-39(30-34-42)38-15-4-3-5-16-38)53-26-13-21-45(47-23-12-22-46-44-19-9-11-28-55(44)63-59(46)47)57(53)41-32-36-56-50(37-41)48-35-31-40-17-6-7-18-43(40)60(48)64-56/h3-37H,1-2H3
InChIKeyTUQJCGBSMOORDR-UHFFFAOYSA-N
MW836.07 g/mol
LogP17.88
Rot. Bonds6

About N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 170665882) has the molecular formula C61H41NOS and a molecular weight of 836.07 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID170665882
Molecular FormulaC61H41NOS
Molecular Weight836.07 g/mol
Exact Mass835.29
IUPAC NameN-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccc4sc5c6ccccc6ccc5c4c3)cccc21
InChIInChI=1S/C61H41NOS/c1-61(2)51-24-10-8-20-49(51)58-52(61)25-14-27-54(58)62(42-33-29-39(30-34-42)38-15-4-3-5-16-38)53-26-13-21-45(47-23-12-22-46-44-19-9-11-28-55(44)63-59(46)47)57(53)41-32-36-56-50(37-41)48-35-31-40-17-6-7-18-43(40)60(48)64-56/h3-37H,1-2H3
InChIKeyTUQJCGBSMOORDR-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.07
LogP ≤ 517.88
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-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 162178782
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122067
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162208144
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544887
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 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) is N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccc4sc5c6ccccc6ccc5c4c3)cccc21.
What is the InChIKey of N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is TUQJCGBSMOORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NOS/c1-61(2)51-24-10-8-20-49(51)58-52(61)25-14-27-54(58)62(42-33-29-39(30-34-42)38-15-4-3-5-16-38)53-26-13-21-45(47-23-12-22-46-44-19-9-11-28-55(44)63-59(46)47)57(53)41-32-36-56-50(37-41)48-35-31-40-17-6-7-18-43(40)60(48)64-56/h3-37H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 836.07 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-yl-2-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 170665882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).