N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine

C74H48N2O2S2 — CID 121323267

IUPACN-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
SMILESCc1cc(-c2ccc(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccccc1-c1cccc2c1sc1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C74H48N2O2S2/c1-45-43-47(39-41-61(45)75(65-33-17-25-55-51-21-5-11-35-67(51)77-71(55)65)63-31-9-3-19-49(63)57-27-15-29-59-53-23-7-13-37-69(53)79-73(57)59)48-40-42-62(46(2)44-48)76(66-34-18-26-56-52-22-6-12-36-68(52)78-72(56)66)64-32-10-4-20-50(64)58-28-16-30-60-54-24-8-14-38-70(54)80-74(58)60/h3-44H,1-2H3
InChIKeyOZQRXCDWYKUREI-UHFFFAOYSA-N
MW1061.34 g/mol
LogP22.78
Rot. Bonds9

About N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine

N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine (PubChem CID 121323267) has the molecular formula C74H48N2O2S2 and a molecular weight of 1061.34 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
PubChem CID121323267
Molecular FormulaC74H48N2O2S2
Molecular Weight1061.34 g/mol
Exact Mass1060.32
IUPAC NameN-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
SMILESCc1cc(-c2ccc(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccccc1-c1cccc2c1sc1ccccc12)c1cccc2c1oc1ccccc12
InChIInChI=1S/C74H48N2O2S2/c1-45-43-47(39-41-61(45)75(65-33-17-25-55-51-21-5-11-35-67(51)77-71(55)65)63-31-9-3-19-49(63)57-27-15-29-59-53-23-7-13-37-69(53)79-73(57)59)48-40-42-62(46(2)44-48)76(66-34-18-26-56-52-22-6-12-36-68(52)78-72(56)66)64-32-10-4-20-50(64)58-28-16-30-60-54-24-8-14-38-70(54)80-74(58)60/h3-44H,1-2H3
InChIKeyOZQRXCDWYKUREI-UHFFFAOYSA-N
XLogP22.78
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.34
LogP ≤ 522.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(N-dibenzofuran-2-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-2-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine;N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)dibenzofuran-4-amine;2-dibenzothiophen-4-yl-N-[4-[4-(N-(2-dibenzothiophen-4-yl-6-methylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-naphthalen-1-ylphenyl)aniline;N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(N-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-1-ylphenyl)aniline
CID 160808469
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
CID 121323235
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
CID 121323241

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine (CID 121323267) is N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine is Cc1cc(-c2ccc(N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3oc3ccccc34)c(C)c2)ccc1N(c1ccccc1-c1cccc2c1sc1ccccc12)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The InChIKey is OZQRXCDWYKUREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2S2/c1-45-43-47(39-41-61(45)75(65-33-17-25-55-51-21-5-11-35-67(51)77-71(55)65)63-31-9-3-19-49(63)57-27-15-29-59-53-23-7-13-37-69(53)79-73(57)59)48-40-42-62(46(2)44-48)76(66-34-18-26-56-52-22-6-12-36-68(52)78-72(56)66)64-32-10-4-20-50(64)58-28-16-30-60-54-24-8-14-38-70(54)80-74(58)60/h3-44H,1-2H3.
What are the key properties of N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine has a molecular weight of 1061.34 g/mol, XLogP of 22.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 121323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).