1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine

C232H192N12S6 — CID 157080635

About 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine

1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine (PubChem CID 157080635) has the molecular formula C232H192N12S6 and a molecular weight of 3340.57 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine
• PubChem CID: 157080635
• Molecular Formula: C232H192N12S6
• Molecular Weight: 3340.57 g/mol
• Exact Mass: 3337.37
• IUPAC Name: 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine
• SMILES: CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(C4CCC(c5ccccc5)S4)cc3)ccc1-2.Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.S.S.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc(N(c9ccc(-c%10ccc(-c%11ccccc%11)s%10)cc9)C9CCCCC9)cc8)cc7)cc6)cc5)cc4)cc3)s2)cc1.c1ccc(-c2cccs2)cc1
• InChI: InChI=1S/C86H68N4S2.C80H66N4S.C56H46N4.C10H8S.2H2S/c1-7-19-67(20-8-1)83-59-61-85(91-83)69-39-47-77(48-40-69)89(73-27-15-5-16-28-73)81-55-51-79(52-56-81)87(71-23-11-3-12-24-71)75-43-35-65(36-44-75)63-31-33-64(34-32-63)66-37-45-76(46-38-66)88(72-25-13-4-14-26-72)80-53-57-82(58-54-80)90(74-29-17-6-18-30-74)78-49-41-70(42-50-78)86-62-60-84(92-86)68-21-9-2-10-22-68;1-80(2)76-55-72(81(3)63-39-29-57(30-40-63)58-31-41-68(42-32-58)82(64-21-11-5-12-22-64)65-23-13-6-14-24-65)49-51-74(76)75-52-50-73(56-77(75)80)84(71-47-37-62(38-48-71)79-54-53-78(85-79)61-19-9-4-10-20-61)70-45-35-60(36-46-70)59-33-43-69(44-34-59)83(66-25-15-7-16-26-66)67-27-17-8-18-28-67;1-43-23-27-49(28-24-43)59(53-35-31-51(32-36-53)57(45-15-7-3-8-16-45)46-17-9-4-10-18-46)55-39-41-56(42-40-55)60(50-29-25-44(2)26-30-50)54-37-33-52(34-38-54)58(47-19-11-5-12-20-47)48-21-13-6-14-22-48;1-2-5-9(6-3-1)10-7-4-8-11-10;;/h1-5,7-16,19-28,31-62,74H,6,17-18,29-30H2;4-52,55-56,78-79H,53-54H2,1-3H3;3-42H,1-2H3;1-8H;2*1H2
• InChIKey: ADMRKJPKBDDFPB-UHFFFAOYSA-N
• XLogP: 68.33
• TPSA: 38.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 46
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3340.57
LogP ≤ 5	68.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine?

The IUPAC name of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine (CID 157080635) is 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine.

What is the SMILES notation for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine?

The canonical SMILES for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine is CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(C4CCC(c5ccccc5)S4)cc3)ccc1-2.Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.S.S.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc(N(c9ccc(-c%10ccc(-c%11ccccc%11)s%10)cc9)C9CCCCC9)cc8)cc7)cc6)cc5)cc4)cc3)s2)cc1.c1ccc(-c2cccs2)cc1.

What is the InChIKey of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine?

The InChIKey is ADMRKJPKBDDFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N4S2.C80H66N4S.C56H46N4.C10H8S.2H2S/c1-7-19-67(20-8-1)83-59-61-85(91-83)69-39-47-77(48-40-69)89(73-27-15-5-16-28-73)81-55-51-79(52-56-81)87(71-23-11-3-12-24-71)75-43-35-65(36-44-75)63-31-33-64(34-32-63)66-37-45-76(46-38-66)88(72-25-13-4-14-26-72)80-53-57-82(58-54-80)90(74-29-17-6-18-30-74)78-49-41-70(42-50-78)86-62-60-84(92-86)68-21-9-2-10-22-68;1-80(2)76-55-72(81(3)63-39-29-57(30-40-63)58-31-41-68(42-32-58)82(64-21-11-5-12-22-64)65-23-13-6-14-24-65)49-51-74(76)75-52-50-73(56-77(75)80)84(71-47-37-62(38-48-71)79-54-53-78(85-79)61-19-9-4-10-20-61)70-45-35-60(36-46-70)59-33-43-69(44-34-59)83(66-25-15-7-16-26-66)67-27-17-8-18-28-67;1-43-23-27-49(28-24-43)59(53-35-31-51(32-36-53)57(45-15-7-3-8-16-45)46-17-9-4-10-18-46)55-39-41-56(42-40-55)60(50-29-25-44(2)26-30-50)54-37-33-52(34-38-54)58(47-19-11-5-12-20-47)48-21-13-6-14-22-48;1-2-5-9(6-3-1)10-7-4-8-11-10;;/h1-5,7-16,19-28,31-62,74H,6,17-18,29-30H2;4-52,55-56,78-79H,53-54H2,1-3H3;3-42H,1-2H3;1-8H;2*1H2.

What are the key properties of 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine?

1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine has a molecular weight of 3340.57 g/mol, XLogP of 68.33, 46 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclohexyl-4-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;2-phenylthiophene;sulfane;7-N,9,9-trimethyl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(5-phenylthiolan-2-yl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 157080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).