N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine

C58H39NS — CID 177098967

IUPACN,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5sccc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-18-40(19-6-1)57(41-20-7-2-8-21-41)51-28-15-13-26-46(51)49-38-44(32-34-53(49)57)59(55-30-17-31-56-48(55)36-37-60-56)45-33-35-54-50(39-45)47-27-14-16-29-52(47)58(54,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-39H
InChIKeyRAETZTBMPKNNJX-UHFFFAOYSA-N
MW782.02 g/mol
LogP15.10
Rot. Bonds7

About N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine

N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine (PubChem CID 177098967) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
PubChem CID177098967
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5sccc45)ccc32)cc1
InChIInChI=1S/C58H39NS/c1-5-18-40(19-6-1)57(41-20-7-2-8-21-41)51-28-15-13-26-46(51)49-38-44(32-34-53(49)57)59(55-30-17-31-56-48(55)36-37-60-56)45-33-35-54-50(39-45)47-27-14-16-29-52(47)58(54,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-39H
InChIKeyRAETZTBMPKNNJX-UHFFFAOYSA-N
XLogP15.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-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,N-bis(9,9-diphenylfluoren-1-yl)-1-benzothiophen-4-amine
CID 177098766
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099122
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168789109
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-[6-(1-benzothiophen-7-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-7-amine
CID 177099018
9,9-diphenyl-N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 170116680
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N-[4-(1-benzothiophen-5-yl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 177098975
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-1-benzothiophen-7-amine
CID 177098864
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine (CID 177098967) is N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5sccc45)ccc32)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine?
The InChIKey is RAETZTBMPKNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-5-18-40(19-6-1)57(41-20-7-2-8-21-41)51-28-15-13-26-46(51)49-38-44(32-34-53(49)57)59(55-30-17-31-56-48(55)36-37-60-56)45-33-35-54-50(39-45)47-27-14-16-29-52(47)58(54,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-39H.
What are the key properties of N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine?
N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine has a molecular weight of 782.02 g/mol, XLogP of 15.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-3-yl)-1-benzothiophen-4-amine is sourced from PubChem (CID 177098967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).