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

C152H135F6N15O19S4 — CID 158265579

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

[4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (PubChem CID 158265579) has the molecular formula C152H135F6N15O19S4 and a molecular weight of 2718.09 g/mol. Its IUPAC name is [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

Molecular Properties

• Compound Name: [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• PubChem CID: 158265579
• Molecular Formula: C152H135F6N15O19S4
• Molecular Weight: 2718.09 g/mol
• Exact Mass: 2715.88
• IUPAC Name: [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• SMILES: COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(CO)cc4)ccc2n3Cc2ccc(-[n+]3ccn(-c4ccc(Cn5c6ccc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)ccc65)cc4)c3)cc2)cc1.COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-n3cc[n+](C)c3)cc2)cc1.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/C97H83N8O7.C51H46N5O4.2C2H3F3NO4S2/c1-66-5-19-75(20-6-66)102(76-25-11-69(61-106)12-26-76)83-39-49-94-90(55-83)91-56-84(103(77-27-13-70(62-107)14-28-77)80-33-43-87(110-2)44-34-80)40-50-95(91)100(94)59-67-7-21-73(22-8-67)98-53-54-99(65-98)74-23-9-68(10-24-74)60-101-96-51-41-85(104(78-29-15-71(63-108)16-30-78)81-35-45-88(111-3)46-36-81)57-92(96)93-58-86(42-52-97(93)101)105(79-31-17-72(64-109)18-32-79)82-37-47-89(112-4)48-38-82;1-52-28-29-53(35-52)39-10-4-36(5-11-39)32-54-50-26-20-44(55(40-12-6-37(33-57)7-13-40)42-16-22-46(59-2)23-17-42)30-48(50)49-31-45(21-27-51(49)54)56(41-14-8-38(34-58)9-15-41)43-18-24-47(60-3)25-19-43;2*1-11(7,8)6-12(9,10)2(3,4)5/h5-58,65,106-109H,59-64H2,1-4H3;4-31,35,57-58H,32-34H2,1-3H3;2*1H3/q2*+1;2*-1
• InChIKey: QGDPHIAIAHZJJS-UHFFFAOYSA-N
• XLogP: 31.99
• TPSA: 384.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 42
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2718.09
LogP ≤ 5	31.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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

The IUPAC name of [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (CID 158265579) is [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

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

The canonical SMILES for [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(CO)cc4)ccc2n3Cc2ccc(-[n+]3ccn(-c4ccc(Cn5c6ccc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(CO)cc7)c7ccc(OC)cc7)ccc65)cc4)c3)cc2)cc1.COc1ccc(N(c2ccc(CO)cc2)c2ccc3c(c2)c2cc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-n3cc[n+](C)c3)cc2)cc1.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-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The InChIKey is QGDPHIAIAHZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H83N8O7.C51H46N5O4.2C2H3F3NO4S2/c1-66-5-19-75(20-6-66)102(76-25-11-69(61-106)12-26-76)83-39-49-94-90(55-83)91-56-84(103(77-27-13-70(62-107)14-28-77)80-33-43-87(110-2)44-34-80)40-50-95(91)100(94)59-67-7-21-73(22-8-67)98-53-54-99(65-98)74-23-9-68(10-24-74)60-101-96-51-41-85(104(78-29-15-71(63-108)16-30-78)81-35-45-88(111-3)46-36-81)57-92(96)93-58-86(42-52-97(93)101)105(79-31-17-72(64-109)18-32-79)82-37-47-89(112-4)48-38-82;1-52-28-29-53(35-52)39-10-4-36(5-11-39)32-54-50-26-20-44(55(40-12-6-37(33-57)7-13-40)42-16-22-46(59-2)23-17-42)30-48(50)49-31-45(21-27-51(49)54)56(41-14-8-38(34-58)9-15-41)43-18-24-47(60-3)25-19-43;2*1-11(7,8)6-12(9,10)2(3,4)5/h5-58,65,106-109H,59-64H2,1-4H3;4-31,35,57-58H,32-34H2,1-3H3;2*1H3/q2*+1;2*-1.

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

[4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) has a molecular weight of 2718.09 g/mol, XLogP of 31.99, 42 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(N-[9-[[4-[3-[4-[[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methylanilino)phenyl]methanol;[4-(N-[6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 158265579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).