N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C62H39N3OS — CID 147852853

IUPACN-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4sc5c(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5c34)cc2)cc1
InChIInChI=1S/C62H39N3OS/c1-3-14-44(15-4-1)63(46-32-26-40(27-33-46)42-31-37-56-53(38-42)49-18-7-10-22-54(49)64(56)45-16-5-2-6-17-45)47-34-28-41(29-35-47)48-21-13-25-59-61(48)65-55-23-11-8-20-52(55)60(62(65)67-59)43-30-36-51-50-19-9-12-24-57(50)66-58(51)39-43/h1-39H
InChIKeyHVDQKEMYUGYPKH-UHFFFAOYSA-N
MW874.08 g/mol
LogP17.77
Rot. Bonds7

About N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 147852853) has the molecular formula C62H39N3OS and a molecular weight of 874.08 g/mol. Its IUPAC name is N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID147852853
Molecular FormulaC62H39N3OS
Molecular Weight874.08 g/mol
Exact Mass873.28
IUPAC NameN-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4sc5c(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5c34)cc2)cc1
InChIInChI=1S/C62H39N3OS/c1-3-14-44(15-4-1)63(46-32-26-40(27-33-46)42-31-37-56-53(38-42)49-18-7-10-22-54(49)64(56)45-16-5-2-6-17-45)47-34-28-41(29-35-47)48-21-13-25-59-61(48)65-55-23-11-8-20-52(55)60(62(65)67-59)43-30-36-51-50-19-9-12-24-57(50)66-58(51)39-43/h1-39H
InChIKeyHVDQKEMYUGYPKH-UHFFFAOYSA-N
XLogP17.77
TPSA25.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.08
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 167179628
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 90194020
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 147852853) is N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3cccc4sc5c(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5c34)cc2)cc1.
What is the InChIKey of N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is HVDQKEMYUGYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3OS/c1-3-14-44(15-4-1)63(46-32-26-40(27-33-46)42-31-37-56-53(38-42)49-18-7-10-22-54(49)64(56)45-16-5-2-6-17-45)47-34-28-41(29-35-47)48-21-13-25-59-61(48)65-55-23-11-8-20-52(55)60(62(65)67-59)43-30-36-51-50-19-9-12-24-57(50)66-58(51)39-43/h1-39H.
What are the key properties of N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 874.08 g/mol, XLogP of 17.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-dibenzofuran-3-ylindolo[2,1-b][1,3]benzothiazol-6-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 147852853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).