[4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)

C164H157F12N21O27S8 — CID 159503006

About [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)

[4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (PubChem CID 159503006) has the molecular formula C164H157F12N21O27S8 and a molecular weight of 3338.69 g/mol. Its IUPAC name is [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

Molecular Properties

• Compound Name: [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• PubChem CID: 159503006
• Molecular Formula: C164H157F12N21O27S8
• Molecular Weight: 3338.69 g/mol
• Exact Mass: 3335.91
• IUPAC Name: [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• SMILES: C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(CO)cc4)ccc2n3CC[n+]2ccn(Cc3ccc(Cn4cc[n+](CCn5c6ccc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)ccc65)c4)cc3)c2)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C98H90N10O7.C58H55N7O4.4C2H3F3NO4S2/c1-69-5-19-76(20-6-69)105(77-21-11-72(63-109)12-22-77)84-35-45-95-91(57-84)92-58-85(106(78-23-13-73(64-110)14-24-78)81-29-39-88(113-2)40-30-81)36-46-96(92)103(95)55-53-99-49-51-101(67-99)61-70-7-9-71(10-8-70)62-102-52-50-100(68-102)54-56-104-97-47-37-86(107(79-25-15-74(65-111)16-26-79)82-31-41-89(114-3)42-32-82)59-93(97)94-60-87(38-48-98(94)104)108(80-27-17-75(66-112)18-28-80)83-33-43-90(115-4)44-34-83;1-4-59-29-31-61(41-59)37-43-5-7-44(8-6-43)38-62-32-30-60(42-62)33-34-63-57-27-21-51(64(47-13-9-45(39-66)10-14-47)49-17-23-53(68-2)24-18-49)35-55(57)56-36-52(22-28-58(56)63)65(48-15-11-46(40-67)12-16-48)50-19-25-54(69-3)26-20-50;4*1-11(7,8)6-12(9,10)2(3,4)5/h5-52,57-60,67-68,109-112H,53-56,61-66H2,1-4H3;4-32,35-36,41-42,66-67H,1,33-34,37-40H2,2-3H3;4*1H3/q2*+2;4*-1
• InChIKey: MQMMMILWPNWZNO-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 566.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 55
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.69
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The IUPAC name of [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (CID 159503006) is [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

What is the SMILES notation for [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The canonical SMILES for [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(CO)cc4)ccc2n3CC[n+]2ccn(Cc3ccc(Cn4cc[n+](CCn5c6ccc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)ccc65)c4)cc3)c2)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.

What is the InChIKey of [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The InChIKey is MQMMMILWPNWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H90N10O7.C58H55N7O4.4C2H3F3NO4S2/c1-69-5-19-76(20-6-69)105(77-21-11-72(63-109)12-22-77)84-35-45-95-91(57-84)92-58-85(106(78-23-13-73(64-110)14-24-78)81-29-39-88(113-2)40-30-81)36-46-96(92)103(95)55-53-99-49-51-101(67-99)61-70-7-9-71(10-8-70)62-102-52-50-100(68-102)54-56-104-97-47-37-86(107(79-25-15-74(65-111)16-26-79)82-31-41-89(114-3)42-32-82)59-93(97)94-60-87(38-48-98(94)104)108(80-27-17-75(66-112)18-28-80)83-33-43-90(115-4)44-34-83;1-4-59-29-31-61(41-59)37-43-5-7-44(8-6-43)38-62-32-30-60(42-62)33-34-63-57-27-21-51(64(47-13-9-45(39-66)10-14-47)49-17-23-53(68-2)24-18-49)35-55(57)56-36-52(22-28-58(56)63)65(48-15-11-46(40-67)12-16-48)50-19-25-54(69-3)26-20-50;4*1-11(7,8)6-12(9,10)2(3,4)5/h5-52,57-60,67-68,109-112H,53-56,61-66H2,1-4H3;4-32,35-36,41-42,66-67H,1,33-34,37-40H2,2-3H3;4*1H3/q2*+2;4*-1.

What are the key properties of [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

[4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide) has a molecular weight of 3338.69 g/mol, XLogP of 31.25, 55 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(N-[9-[2-[3-[[4-[[3-[2-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;tetrakis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 159503006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).