1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane

C218H192N12S8 — CID 159773211

IUPAC1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(N(C2CCC(C)CC2)C2CCC(C3CCC(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)CC2)cc1.S.S
InChIInChI=1S/C87H66N4S3.C69H54N4S3.C62H68N4.2H2S/c1-61-19-58-85(92-61)70-34-52-82(53-35-70)88(73-13-7-4-8-14-73)76-40-22-64(23-41-76)67-28-46-79(47-29-67)91(80-48-30-68(31-49-80)65-24-42-77(43-25-65)89(74-15-9-5-10-16-74)83-54-36-71(37-55-83)86-59-20-62(2)93-86)81-50-32-69(33-51-81)66-26-44-78(45-27-66)90(75-17-11-6-12-18-75)84-56-38-72(39-57-84)87-60-21-63(3)94-87;1-49-19-46-67(74-49)52-22-28-58(29-23-52)70(55-13-7-4-8-14-55)61-34-40-64(41-35-61)73(65-42-36-62(37-43-65)71(56-15-9-5-10-16-56)59-30-24-53(25-31-59)68-47-20-50(2)75-68)66-44-38-63(39-45-66)72(57-17-11-6-12-18-57)60-32-26-54(27-33-60)69-48-21-51(3)76-69;1-47-23-31-55(32-24-47)65(56-33-25-48(2)26-34-56)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(61-43-39-59(40-44-61)63(51-15-7-3-8-16-51)52-17-9-4-10-18-52)62-45-41-60(42-46-62)64(53-19-11-5-12-20-53)54-21-13-6-14-22-54;;/h4-60H,1-3H3;4-48H,1-3H3;3-24,31-32,39-46,48-50,56-58H,25-30,33-38H2,1-2H3;2*1H2
InChIKeyNGJSQYPDENGZSB-UHFFFAOYSA-N
MW3236.55 g/mol
LogP65.86
Rot. Bonds46

About 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane

1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane (PubChem CID 159773211) has the molecular formula C218H192N12S8 and a molecular weight of 3236.55 g/mol. Its IUPAC name is 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane.

Molecular Properties

Compound Name1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane
PubChem CID159773211
Molecular FormulaC218H192N12S8
Molecular Weight3236.55 g/mol
Exact Mass3233.32
IUPAC Name1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(N(C2CCC(C)CC2)C2CCC(C3CCC(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)CC2)cc1.S.S
InChIInChI=1S/C87H66N4S3.C69H54N4S3.C62H68N4.2H2S/c1-61-19-58-85(92-61)70-34-52-82(53-35-70)88(73-13-7-4-8-14-73)76-40-22-64(23-41-76)67-28-46-79(47-29-67)91(80-48-30-68(31-49-80)65-24-42-77(43-25-65)89(74-15-9-5-10-16-74)83-54-36-71(37-55-83)86-59-20-62(2)93-86)81-50-32-69(33-51-81)66-26-44-78(45-27-66)90(75-17-11-6-12-18-75)84-56-38-72(39-57-84)87-60-21-63(3)94-87;1-49-19-46-67(74-49)52-22-28-58(29-23-52)70(55-13-7-4-8-14-55)61-34-40-64(41-35-61)73(65-42-36-62(37-43-65)71(56-15-9-5-10-16-56)59-30-24-53(25-31-59)68-47-20-50(2)75-68)66-44-38-63(39-45-66)72(57-17-11-6-12-18-57)60-32-26-54(27-33-60)69-48-21-51(3)76-69;1-47-23-31-55(32-24-47)65(56-33-25-48(2)26-34-56)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(61-43-39-59(40-44-61)63(51-15-7-3-8-16-51)52-17-9-4-10-18-52)62-45-41-60(42-46-62)64(53-19-11-5-12-20-53)54-21-13-6-14-22-54;;/h4-60H,1-3H3;4-48H,1-3H3;3-24,31-32,39-46,48-50,56-58H,25-30,33-38H2,1-2H3;2*1H2
InChIKeyNGJSQYPDENGZSB-UHFFFAOYSA-N
XLogP65.86
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003236.55
LogP ≤ 565.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane?
The IUPAC name of 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane (CID 159773211) is 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane.
What is the SMILES notation for 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane?
The canonical SMILES for 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(C)s8)cc7)cc6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(N(C2CCC(C)CC2)C2CCC(C3CCC(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)CC2)cc1.S.S.
What is the InChIKey of 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane?
The InChIKey is NGJSQYPDENGZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H66N4S3.C69H54N4S3.C62H68N4.2H2S/c1-61-19-58-85(92-61)70-34-52-82(53-35-70)88(73-13-7-4-8-14-73)76-40-22-64(23-41-76)67-28-46-79(47-29-67)91(80-48-30-68(31-49-80)65-24-42-77(43-25-65)89(74-15-9-5-10-16-74)83-54-36-71(37-55-83)86-59-20-62(2)93-86)81-50-32-69(33-51-81)66-26-44-78(45-27-66)90(75-17-11-6-12-18-75)84-56-38-72(39-57-84)87-60-21-63(3)94-87;1-49-19-46-67(74-49)52-22-28-58(29-23-52)70(55-13-7-4-8-14-55)61-34-40-64(41-35-61)73(65-42-36-62(37-43-65)71(56-15-9-5-10-16-56)59-30-24-53(25-31-59)68-47-20-50(2)75-68)66-44-38-63(39-45-66)72(57-17-11-6-12-18-57)60-32-26-54(27-33-60)69-48-21-51(3)76-69;1-47-23-31-55(32-24-47)65(56-33-25-48(2)26-34-56)57-35-27-49(28-36-57)50-29-37-58(38-30-50)66(61-43-39-59(40-44-61)63(51-15-7-3-8-16-51)52-17-9-4-10-18-52)62-45-41-60(42-46-62)64(53-19-11-5-12-20-53)54-21-13-6-14-22-54;;/h4-60H,1-3H3;4-48H,1-3H3;3-24,31-32,39-46,48-50,56-58H,25-30,33-38H2,1-2H3;2*1H2.
What are the key properties of 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane?
1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane has a molecular weight of 3236.55 g/mol, XLogP of 65.86, 46 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[4-(4-methyl-N-(4-methylcyclohexyl)anilino)cyclohexyl]cyclohexyl]-4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]-N-phenylaniline;sulfane is sourced from PubChem (CID 159773211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).