N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C162H110N6S3 — CID 157487885

IUPACN-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/2C56H38N2S.C50H34N2S/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-35-46(36-32-42)57(52-25-12-10-21-48(52)43-17-6-2-7-18-43)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-39(16-5-1)41-27-29-43(30-28-41)48-21-10-12-25-52(48)57(46-35-31-42(32-36-46)40-17-6-2-7-18-40)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-35(16-5-1)36-27-31-40(32-28-36)51(46-25-12-10-21-42(46)37-17-6-2-7-18-37)41-33-29-38(30-34-41)43-23-14-24-45-48-50(53-49(43)45)44-22-11-13-26-47(44)52(48)39-19-8-3-9-20-39/h2*1-38H;1-34H
InChIKeyBWXUNZQIQYJXDY-UHFFFAOYSA-N
MW2236.90 g/mol
LogP46.74
Rot. Bonds23

About N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 157487885) has the molecular formula C162H110N6S3 and a molecular weight of 2236.90 g/mol. Its IUPAC name is N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID157487885
Molecular FormulaC162H110N6S3
Molecular Weight2236.90 g/mol
Exact Mass2234.80
IUPAC NameN-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/2C56H38N2S.C50H34N2S/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-35-46(36-32-42)57(52-25-12-10-21-48(52)43-17-6-2-7-18-43)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-39(16-5-1)41-27-29-43(30-28-41)48-21-10-12-25-52(48)57(46-35-31-42(32-36-46)40-17-6-2-7-18-40)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-35(16-5-1)36-27-31-40(32-28-36)51(46-25-12-10-21-42(46)37-17-6-2-7-18-37)41-33-29-38(30-34-41)43-23-14-24-45-48-50(53-49(43)45)44-22-11-13-26-47(44)52(48)39-19-8-3-9-20-39/h2*1-38H;1-34H
InChIKeyBWXUNZQIQYJXDY-UHFFFAOYSA-N
XLogP46.74
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002236.90
LogP ≤ 546.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 161018282
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(6-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline
CID 167040741
N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline
CID 157069512
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 164790605
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]dibenzofuran-1-amine
CID 156666949
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]dibenzofuran-4-amine;N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 161047454
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]dibenzofuran-4-amine
CID 156666954
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-dibenzofuran-4-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
CID 162206687
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847633
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 157487885) is N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BWXUNZQIQYJXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H38N2S.C50H34N2S/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-35-46(36-32-42)57(52-25-12-10-21-48(52)43-17-6-2-7-18-43)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-39(16-5-1)41-27-29-43(30-28-41)48-21-10-12-25-52(48)57(46-35-31-42(32-36-46)40-17-6-2-7-18-40)47-37-33-44(34-38-47)49-23-14-24-51-54-56(59-55(49)51)50-22-11-13-26-53(50)58(54)45-19-8-3-9-20-45;1-4-15-35(16-5-1)36-27-31-40(32-28-36)51(46-25-12-10-21-42(46)37-17-6-2-7-18-37)41-33-29-38(30-34-41)43-23-14-24-45-48-50(53-49(43)45)44-22-11-13-26-47(44)52(48)39-19-8-3-9-20-39/h2*1-38H;1-34H.
What are the key properties of N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 2236.90 g/mol, XLogP of 46.74, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 157487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).