N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline

C51H38N2S — CID 139528091

IUPACN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C51H38N2S/c1-51(2)45-20-10-12-22-47(45)53(48-23-13-11-21-46(48)51)41-33-43(50-44(34-41)42-19-9-14-24-49(42)54-50)37-27-31-40(32-28-37)52(38-17-7-4-8-18-38)39-29-25-36(26-30-39)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeySEFBLOSOSUHEQZ-UHFFFAOYSA-N
MW710.95 g/mol
LogP14.97
Rot. Bonds6

About N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline

N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline (PubChem CID 139528091) has the molecular formula C51H38N2S and a molecular weight of 710.95 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline
PubChem CID139528091
Molecular FormulaC51H38N2S
Molecular Weight710.95 g/mol
Exact Mass710.28
IUPAC NameN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C51H38N2S/c1-51(2)45-20-10-12-22-47(45)53(48-23-13-11-21-46(48)51)41-33-43(50-44(34-41)42-19-9-14-24-49(42)54-50)37-27-31-40(32-28-37)52(38-17-7-4-8-18-38)39-29-25-36(26-30-39)35-15-5-3-6-16-35/h3-34H,1-2H3
InChIKeySEFBLOSOSUHEQZ-UHFFFAOYSA-N
XLogP14.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.95
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159972632
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 139528096
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(15,15-dimethyl-25-thia-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19(24),20,22-dodecaen-22-yl)phenyl]-N,4-diphenylaniline
CID 90270179
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
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
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline (CID 139528091) is N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline is CC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3sc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is SEFBLOSOSUHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2S/c1-51(2)45-20-10-12-22-47(45)53(48-23-13-11-21-46(48)51)41-33-43(50-44(34-41)42-19-9-14-24-49(42)54-50)37-27-31-40(32-28-37)52(38-17-7-4-8-18-38)39-29-25-36(26-30-39)35-15-5-3-6-16-35/h3-34H,1-2H3.
What are the key properties of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline?
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 710.95 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 139528091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).