N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine

C49H33NOS — CID 177121517

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cccc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-16-7-5-14-39(40)46-41(49)17-10-18-42(46)50(43-19-9-15-37-38-28-23-31-11-3-4-12-34(31)47(38)52-48(37)43)33-25-21-30(22-26-33)32-24-27-36-35-13-6-8-20-44(35)51-45(36)29-32/h3-29H,1-2H3
InChIKeyQHCBAWVDLOVDAF-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.55
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine (PubChem CID 177121517) has the molecular formula C49H33NOS and a molecular weight of 683.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
PubChem CID177121517
Molecular FormulaC49H33NOS
Molecular Weight683.88 g/mol
Exact Mass683.23
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cccc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-16-7-5-14-39(40)46-41(49)17-10-18-42(46)50(43-19-9-15-37-38-28-23-31-11-3-4-12-34(31)47(38)52-48(37)43)33-25-21-30(22-26-33)32-24-27-36-35-13-6-8-20-44(35)51-45(36)29-32/h3-29H,1-2H3
InChIKeyQHCBAWVDLOVDAF-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122067
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
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170138885
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine (CID 177121517) is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cccc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The InChIKey is QHCBAWVDLOVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NOS/c1-49(2)40-16-7-5-14-39(40)46-41(49)17-10-18-42(46)50(43-19-9-15-37-38-28-23-31-11-3-4-12-34(31)47(38)52-48(37)43)33-25-21-30(22-26-33)32-24-27-36-35-13-6-8-20-44(35)51-45(36)29-32/h3-29H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine has a molecular weight of 683.88 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 177121517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).