3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline

C160H104N6S3 — CID 163486242

IUPAC3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1
InChIInChI=1S/C56H36N2S.2C52H34N2S/c1-2-11-43(12-3-1)57(45-29-24-39(25-30-45)41-26-33-48-42(36-41)19-18-40-10-4-5-13-47(40)48)44-27-20-37(21-28-44)38-22-31-46(32-23-38)58-52-16-8-6-15-51(52)55-53(58)35-34-50-49-14-7-9-17-54(49)59-56(50)55;1-2-16-41(17-3-1)53(42-28-26-36(27-29-42)40-25-24-35-12-4-5-13-37(35)30-40)43-18-10-14-38(31-43)39-15-11-19-44(32-39)54-49-22-8-6-20-45(49)47-33-48-46-21-7-9-23-51(46)55-52(48)34-50(47)54;1-2-14-41(15-3-1)53(42-27-23-37(24-28-42)40-22-21-35-11-4-5-12-38(35)31-40)44-16-10-13-39(32-44)36-25-29-43(30-26-36)54-49-19-8-6-17-45(49)47-33-48-46-18-7-9-20-51(46)55-52(48)34-50(47)54/h1-36H;2*1-34H
InChIKeyCIUAQPWHVWZAJS-UHFFFAOYSA-N
MW2206.83 g/mol
LogP46.48
Rot. Bonds18

About 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline

3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline (PubChem CID 163486242) has the molecular formula C160H104N6S3 and a molecular weight of 2206.83 g/mol. Its IUPAC name is 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
PubChem CID163486242
Molecular FormulaC160H104N6S3
Molecular Weight2206.83 g/mol
Exact Mass2204.75
IUPAC Name3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1
InChIInChI=1S/C56H36N2S.2C52H34N2S/c1-2-11-43(12-3-1)57(45-29-24-39(25-30-45)41-26-33-48-42(36-41)19-18-40-10-4-5-13-47(40)48)44-27-20-37(21-28-44)38-22-31-46(32-23-38)58-52-16-8-6-15-51(52)55-53(58)35-34-50-49-14-7-9-17-54(49)59-56(50)55;1-2-16-41(17-3-1)53(42-28-26-36(27-29-42)40-25-24-35-12-4-5-13-37(35)30-40)43-18-10-14-38(31-43)39-15-11-19-44(32-39)54-49-22-8-6-20-45(49)47-33-48-46-21-7-9-23-51(46)55-52(48)34-50(47)54;1-2-14-41(15-3-1)53(42-27-23-37(24-28-42)40-22-21-35-11-4-5-12-38(35)31-40)44-16-10-13-39(32-44)36-25-29-43(30-26-36)54-49-19-8-6-17-45(49)47-33-48-46-18-7-9-20-51(46)55-52(48)34-50(47)54/h1-36H;2*1-34H
InChIKeyCIUAQPWHVWZAJS-UHFFFAOYSA-N
XLogP46.48
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002206.83
LogP ≤ 546.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline with MolForge

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Related Compounds

3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-3-naphthalen-2-yl-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 158502718
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343
1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
CID 159867112
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 162164972
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847

Frequently Asked Questions

What is the IUPAC name of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The IUPAC name of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline (CID 163486242) is 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The canonical SMILES for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1.
What is the InChIKey of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The InChIKey is CIUAQPWHVWZAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S.2C52H34N2S/c1-2-11-43(12-3-1)57(45-29-24-39(25-30-45)41-26-33-48-42(36-41)19-18-40-10-4-5-13-47(40)48)44-27-20-37(21-28-44)38-22-31-46(32-23-38)58-52-16-8-6-15-51(52)55-53(58)35-34-50-49-14-7-9-17-54(49)59-56(50)55;1-2-16-41(17-3-1)53(42-28-26-36(27-29-42)40-25-24-35-12-4-5-13-37(35)30-40)43-18-10-14-38(31-43)39-15-11-19-44(32-39)54-49-22-8-6-20-45(49)47-33-48-46-21-7-9-23-51(46)55-52(48)34-50(47)54;1-2-14-41(15-3-1)53(42-27-23-37(24-28-42)40-22-21-35-11-4-5-12-38(35)31-40)44-16-10-13-39(32-44)36-25-29-43(30-26-36)54-49-19-8-6-17-45(49)47-33-48-46-18-7-9-20-51(46)55-52(48)34-50(47)54/h1-36H;2*1-34H.
What are the key properties of 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline has a molecular weight of 2206.83 g/mol, XLogP of 46.48, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 163486242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).