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

C57H41N3S — CID 139528096

IUPACN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C57H41N3S/c1-57(2)49-23-11-14-26-52(49)60(53-27-15-12-24-50(53)57)43-35-47(56-48(36-43)46-22-10-16-28-55(46)61-56)38-29-31-41(32-30-38)58(39-17-5-3-6-18-39)42-33-34-45-44-21-9-13-25-51(44)59(54(45)37-42)40-19-7-4-8-20-40/h3-37H,1-2H3
InChIKeyVJPSNKLCPBMIAB-UHFFFAOYSA-N
MW800.04 g/mol
LogP16.40
Rot. Bonds6

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

N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 139528096) has the molecular formula C57H41N3S and a molecular weight of 800.04 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID139528096
Molecular FormulaC57H41N3S
Molecular Weight800.04 g/mol
Exact Mass799.30
IUPAC NameN-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3sc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C57H41N3S/c1-57(2)49-23-11-14-26-52(49)60(53-27-15-12-24-50(53)57)43-35-47(56-48(36-43)46-22-10-16-28-55(46)61-56)38-29-31-41(32-30-38)58(39-17-5-3-6-18-39)42-33-34-45-44-21-9-13-25-51(44)59(54(45)37-42)40-19-7-4-8-20-40/h3-37H,1-2H3
InChIKeyVJPSNKLCPBMIAB-UHFFFAOYSA-N
XLogP16.40
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.04
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline
CID 139528091
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-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 130264768
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-2-amine
CID 129123874
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 139528096) is N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine is CC1(C)c2ccccc2N(c2cc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3sc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is VJPSNKLCPBMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3S/c1-57(2)49-23-11-14-26-52(49)60(53-27-15-12-24-50(53)57)43-35-47(56-48(36-43)46-22-10-16-28-55(46)61-56)38-29-31-41(32-30-38)58(39-17-5-3-6-18-39)42-33-34-45-44-21-9-13-25-51(44)59(54(45)37-42)40-19-7-4-8-20-40/h3-37H,1-2H3.
What are the key properties of N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 800.04 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 139528096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).