N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine

C52H36N2S — CID 140917352

IUPACN-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4sc5ccc(-c6nc7ccccc7c7ccccc67)cc5c4c3)c21
InChIInChI=1S/C52H36N2S/c1-52(2)45-23-10-8-19-39(45)41-22-13-25-47(50(41)52)54(36-17-12-16-34(30-36)33-14-4-3-5-15-33)37-27-29-49-44(32-37)43-31-35(26-28-48(43)55-49)51-42-21-7-6-18-38(42)40-20-9-11-24-46(40)53-51/h3-32H,1-2H3
InChIKeyREWWLFNZHFVQTQ-UHFFFAOYSA-N
MW720.94 g/mol
LogP14.87
Rot. Bonds5

About N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 140917352) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine
PubChem CID140917352
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4sc5ccc(-c6nc7ccccc7c7ccccc67)cc5c4c3)c21
InChIInChI=1S/C52H36N2S/c1-52(2)45-23-10-8-19-39(45)41-22-13-25-47(50(41)52)54(36-17-12-16-34(30-36)33-14-4-3-5-15-33)37-27-29-49-44(32-37)43-31-35(26-28-48(43)55-49)51-42-21-7-6-18-38(42)40-20-9-11-24-46(40)53-51/h3-32H,1-2H3
InChIKeyREWWLFNZHFVQTQ-UHFFFAOYSA-N
XLogP14.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 170665703
N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308639
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 168788697
12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzothiol-2-amine
CID 161406225
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
7-N-(11,11-dimethylbenzo[h]fluoren-1-yl)-2-N,7-N-diphenyl-2-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 170410183
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(20-thia-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2(7),3,5,8(22),9,11,13(21),14,16,18-decaen-5-yl)phenyl]fluoren-1-amine
CID 163298384
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
CID 121358602
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine (CID 140917352) is N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4sc5ccc(-c6nc7ccccc7c7ccccc67)cc5c4c3)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is REWWLFNZHFVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-52(2)45-23-10-8-19-39(45)41-22-13-25-47(50(41)52)54(36-17-12-16-34(30-36)33-14-4-3-5-15-33)37-27-29-49-44(32-37)43-31-35(26-28-48(43)55-49)51-42-21-7-6-18-38(42)40-20-9-11-24-46(40)53-51/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 720.94 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-8-phenanthridin-6-yl-N-(3-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 140917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).