N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

C67H44N2S — CID 135166813

IUPACN-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-21-45(22-4-1)49-25-7-8-26-51(49)52-27-10-15-36-60(52)68(48-43-41-46(42-44-48)50-30-19-31-54-53-28-11-18-40-64(53)70-66(50)54)63-39-20-35-59-65(63)55-29-9-12-32-56(55)67(59)57-33-13-16-37-61(57)69(47-23-5-2-6-24-47)62-38-17-14-34-58(62)67/h1-44H
InChIKeyZAEMPVIHFXLAQC-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.67
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166813) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID135166813
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-21-45(22-4-1)49-25-7-8-26-51(49)52-27-10-15-36-60(52)68(48-43-41-46(42-44-48)50-30-19-31-54-53-28-11-18-40-64(53)70-66(50)54)63-39-20-35-59-65(63)55-29-9-12-32-56(55)67(59)57-33-13-16-37-61(57)69(47-23-5-2-6-24-47)62-38-17-14-34-58(62)67/h1-44H
InChIKeyZAEMPVIHFXLAQC-UHFFFAOYSA-N
XLogP18.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.17
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-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-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 160663458
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269
N-[4-[8-[3-[4'-(4-dibenzofuran-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]dibenzothiophen-4-yl]phenyl]-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155296977
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240036
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-naphthalen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 157379231
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135166874
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166813) is N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is ZAEMPVIHFXLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-3-21-45(22-4-1)49-25-7-8-26-51(49)52-27-10-15-36-60(52)68(48-43-41-46(42-44-48)50-30-19-31-54-53-28-11-18-40-64(53)70-66(50)54)63-39-20-35-59-65(63)55-29-9-12-32-56(55)67(59)57-33-13-16-37-61(57)69(47-23-5-2-6-24-47)62-38-17-14-34-58(62)67/h1-44H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 909.17 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).