N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine

C53H33NOS — CID 177121927

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C53H33NOS/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)45-25-11-9-21-39(45)40-32-30-37(33-46(40)53)54(47-26-13-23-42-41-22-10-12-28-49(41)55-50(42)47)48-27-14-24-43-44-31-29-34-15-7-8-20-38(34)51(44)56-52(43)48/h1-33H
InChIKeyWYHPBKAEZSGAJT-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.94
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine (PubChem CID 177121927) has the molecular formula C53H33NOS and a molecular weight of 731.92 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
PubChem CID177121927
Molecular FormulaC53H33NOS
Molecular Weight731.92 g/mol
Exact Mass731.23
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C53H33NOS/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)45-25-11-9-21-39(45)40-32-30-37(33-46(40)53)54(47-26-13-23-42-41-22-10-12-28-49(41)55-50(42)47)48-27-14-24-43-44-31-29-34-15-7-8-20-38(34)51(44)56-52(43)48/h1-33H
InChIKeyWYHPBKAEZSGAJT-UHFFFAOYSA-N
XLogP14.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121734
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 163907356
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
CID 177121427
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-5-N,5-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855700
N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
CID 158728746
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022341

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine (CID 177121927) is N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine?
The InChIKey is WYHPBKAEZSGAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NOS/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)45-25-11-9-21-39(45)40-32-30-37(33-46(40)53)54(47-26-13-23-42-41-22-10-12-28-49(41)55-50(42)47)48-27-14-24-43-44-31-29-34-15-7-8-20-38(34)51(44)56-52(43)48/h1-33H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine has a molecular weight of 731.92 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine is sourced from PubChem (CID 177121927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).