N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine

C66H48N2S — CID 144857168

IUPACN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)cc3)cc21
InChIInChI=1S/C66H48N2S/c1-65(2)57-28-16-17-29-60(57)68(51-25-13-6-14-26-51)61-42-35-48(43-59(61)65)47-33-38-53(39-34-47)67(52-36-31-46(32-37-52)45-19-7-3-8-20-45)54-40-41-55-58(44-54)66(49-21-9-4-10-22-49,50-23-11-5-12-24-50)63-56-27-15-18-30-62(56)69-64(55)63/h3-44H,1-2H3
InChIKeyXNVYVCXYDSQDTN-UHFFFAOYSA-N
MW901.19 g/mol
LogP18.18
Rot. Bonds8

About N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine

N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine (PubChem CID 144857168) has the molecular formula C66H48N2S and a molecular weight of 901.19 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
PubChem CID144857168
Molecular FormulaC66H48N2S
Molecular Weight901.19 g/mol
Exact Mass900.35
IUPAC NameN-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)cc3)cc21
InChIInChI=1S/C66H48N2S/c1-65(2)57-28-16-17-29-60(57)68(51-25-13-6-14-26-51)61-42-35-48(43-59(61)65)47-33-38-53(39-34-47)67(52-36-31-46(32-37-52)45-19-7-3-8-20-45)54-40-41-55-58(44-54)66(49-21-9-4-10-22-49,50-23-11-5-12-24-50)63-56-27-15-18-30-62(56)69-64(55)63/h3-44H,1-2H3
InChIKeyXNVYVCXYDSQDTN-UHFFFAOYSA-N
XLogP18.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.19
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857145
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 156549343
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 168750641
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine
CID 168750843
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The IUPAC name of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine (CID 144857168) is N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5sc5ccccc45)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The InChIKey is XNVYVCXYDSQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2S/c1-65(2)57-28-16-17-29-60(57)68(51-25-13-6-14-26-51)61-42-35-48(43-59(61)65)47-33-38-53(39-34-47)67(52-36-31-46(32-37-52)45-19-7-3-8-20-45)54-40-41-55-58(44-54)66(49-21-9-4-10-22-49,50-23-11-5-12-24-50)63-56-27-15-18-30-62(56)69-64(55)63/h3-44H,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine has a molecular weight of 901.19 g/mol, XLogP of 18.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine is sourced from PubChem (CID 144857168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).