4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline

C202H132N4S7 — CID 165055110

IUPAC4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)cc2)cc1.c1ccc2cc3sc(-c4ccc(N(c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)cc4)cc3cc2c1
InChIInChI=1S/C54H33NS3.C52H35NS.C48H31NS2.C48H33NS/c1-4-10-40-28-52-43(25-37(40)7-1)31-49(56-52)34-13-19-46(20-14-34)55(47-21-15-35(16-22-47)50-32-44-26-38-8-2-5-11-41(38)29-53(44)57-50)48-23-17-36(18-24-48)51-33-45-27-39-9-3-6-12-42(39)30-54(45)58-51;1-2-8-36(9-3-1)39-20-26-48(27-21-39)53(50-30-24-41(25-31-50)46-19-16-37-10-4-5-11-43(37)32-46)49-28-22-40(23-29-49)38-14-17-42(18-15-38)51-35-47-33-44-12-6-7-13-45(44)34-52(47)54-51;1-2-8-32(9-3-1)33-14-20-42(21-15-33)49(43-22-16-34(17-23-43)45-30-40-26-36-10-4-6-12-38(36)28-47(40)50-45)44-24-18-35(19-25-44)46-31-41-27-37-11-5-7-13-39(37)29-48(41)51-46;1-3-9-34(10-4-1)37-19-25-44(26-20-37)49(45-27-21-38(22-28-45)35-11-5-2-6-12-35)46-29-23-39(24-30-46)36-15-17-40(18-16-36)47-33-43-31-41-13-7-8-14-42(41)32-48(43)50-47/h1-33H;1-35H;1-31H;1-33H
InChIKeyQHCGUFYLRJSUPZ-UHFFFAOYSA-N
MW2839.77 g/mol
LogP61.69
Rot. Bonds26

About 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline

4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline (PubChem CID 165055110) has the molecular formula C202H132N4S7 and a molecular weight of 2839.77 g/mol. Its IUPAC name is 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound Name4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
PubChem CID165055110
Molecular FormulaC202H132N4S7
Molecular Weight2839.77 g/mol
Exact Mass2836.85
IUPAC Name4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)cc2)cc1.c1ccc2cc3sc(-c4ccc(N(c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)cc4)cc3cc2c1
InChIInChI=1S/C54H33NS3.C52H35NS.C48H31NS2.C48H33NS/c1-4-10-40-28-52-43(25-37(40)7-1)31-49(56-52)34-13-19-46(20-14-34)55(47-21-15-35(16-22-47)50-32-44-26-38-8-2-5-11-41(38)29-53(44)57-50)48-23-17-36(18-24-48)51-33-45-27-39-9-3-6-12-42(39)30-54(45)58-51;1-2-8-36(9-3-1)39-20-26-48(27-21-39)53(50-30-24-41(25-31-50)46-19-16-37-10-4-5-11-43(37)32-46)49-28-22-40(23-29-49)38-14-17-42(18-15-38)51-35-47-33-44-12-6-7-13-45(44)34-52(47)54-51;1-2-8-32(9-3-1)33-14-20-42(21-15-33)49(43-22-16-34(17-23-43)45-30-40-26-36-10-4-6-12-38(36)28-47(40)50-45)44-24-18-35(19-25-44)46-31-41-27-37-11-5-7-13-39(37)29-48(41)51-46;1-3-9-34(10-4-1)37-19-25-44(26-20-37)49(45-27-21-38(22-28-45)35-11-5-2-6-12-35)46-29-23-39(24-30-46)36-15-17-40(18-16-36)47-33-43-31-41-13-7-8-14-42(41)32-48(43)50-47/h1-33H;1-35H;1-31H;1-33H
InChIKeyQHCGUFYLRJSUPZ-UHFFFAOYSA-N
XLogP61.69
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002839.77
LogP ≤ 561.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline with MolForge

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Related Compounds

2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165048376
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744627
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 164744905
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610
N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline
CID 164744531
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103

Frequently Asked Questions

What is the IUPAC name of 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline?
The IUPAC name of 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline (CID 165055110) is 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)c3ccc(-c4cc5cc6ccccc6cc5s4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6cc7ccccc7cc6s5)cc4)cc3)cc2)cc1.c1ccc2cc3sc(-c4ccc(N(c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)c5ccc(-c6cc7cc8ccccc8cc7s6)cc5)cc4)cc3cc2c1.
What is the InChIKey of 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline?
The InChIKey is QHCGUFYLRJSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NS3.C52H35NS.C48H31NS2.C48H33NS/c1-4-10-40-28-52-43(25-37(40)7-1)31-49(56-52)34-13-19-46(20-14-34)55(47-21-15-35(16-22-47)50-32-44-26-38-8-2-5-11-41(38)29-53(44)57-50)48-23-17-36(18-24-48)51-33-45-27-39-9-3-6-12-42(39)30-54(45)58-51;1-2-8-36(9-3-1)39-20-26-48(27-21-39)53(50-30-24-41(25-31-50)46-19-16-37-10-4-5-11-43(37)32-46)49-28-22-40(23-29-49)38-14-17-42(18-15-38)51-35-47-33-44-12-6-7-13-45(44)34-52(47)54-51;1-2-8-32(9-3-1)33-14-20-42(21-15-33)49(43-22-16-34(17-23-43)45-30-40-26-36-10-4-6-12-38(36)28-47(40)50-45)44-24-18-35(19-25-44)46-31-41-27-37-11-5-7-13-39(37)29-48(41)51-46;1-3-9-34(10-4-1)37-19-25-44(26-20-37)49(45-27-21-38(22-28-45)35-11-5-2-6-12-35)46-29-23-39(24-30-46)36-15-17-40(18-16-36)47-33-43-31-41-13-7-8-14-42(41)32-48(43)50-47/h1-33H;1-35H;1-31H;1-33H.
What are the key properties of 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline?
4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline has a molecular weight of 2839.77 g/mol, XLogP of 61.69, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 165055110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).