[4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane

C190H144AlBF12IN7O4 — CID 161335915

About [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane

[4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane (PubChem CID 161335915) has the molecular formula C190H144AlBF12IN7O4 and a molecular weight of 2981.96 g/mol. Its IUPAC name is [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane.

Molecular Properties

• Compound Name: [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
• PubChem CID: 161335915
• Molecular Formula: C190H144AlBF12IN7O4
• Molecular Weight: 2981.96 g/mol
• Exact Mass: 2980.00
• IUPAC Name: [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
• SMILES: C=Cc1c(C)cc([B-](c2cc(C)c(C=C)c(C(F)(F)F)c2)(c2cc(C)c(C=C)c(C(F)(F)F)c2)c2cc(C(F)(F)F)c(C=C)c(C(F)(F)F)c2)cc1C.C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
• InChI: InChI=1S/C63H44N2O.C44H32N2.C40H32BF12.C16H18I.3C9H7NO.Al/c1-2-44-26-36-53(37-27-44)66-54-38-31-48(32-39-54)63(47-16-6-3-7-17-47)59-24-14-12-22-55(59)56-40-35-52(43-60(56)63)64(49-18-8-4-9-19-49)51-33-28-45(29-34-51)46-30-41-62-58(42-46)57-23-13-15-25-61(57)65(62)50-20-10-5-11-21-50;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-9-29-21(5)13-25(14-22(29)6)41(26-15-23(7)30(10-2)33(17-26)37(42,43)44,27-16-24(8)31(11-3)34(18-27)38(45,46)47)28-19-35(39(48,49)50)32(12-4)36(20-28)40(51,52)53;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2-43H,1H2;1-32H;9-20H,1-4H2,5-8H3;4-12H,1-3H3;3*1-6,11H;/q;;-1;+1;;;;+3/p-3
• InChIKey: VMAMGUTVTZAEPR-UHFFFAOYSA-K
• XLogP: 47.36
• TPSA: 90.24 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 34
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2981.96
LogP ≤ 5	47.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?

The IUPAC name of [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane (CID 161335915) is [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane.

What is the SMILES notation for [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?

The canonical SMILES for [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane is C=Cc1c(C)cc([B-](c2cc(C)c(C=C)c(C(F)(F)F)c2)(c2cc(C)c(C=C)c(C(F)(F)F)c2)c2cc(C(F)(F)F)c(C=C)c(C(F)(F)F)c2)cc1C.C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc43)cc2)cc1.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.

What is the InChIKey of [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?

The InChIKey is VMAMGUTVTZAEPR-UHFFFAOYSA-K. The full InChI is InChI=1S/C63H44N2O.C44H32N2.C40H32BF12.C16H18I.3C9H7NO.Al/c1-2-44-26-36-53(37-27-44)66-54-38-31-48(32-39-54)63(47-16-6-3-7-17-47)59-24-14-12-22-55(59)56-40-35-52(43-60(56)63)64(49-18-8-4-9-19-49)51-33-28-45(29-34-51)46-30-41-62-58(42-46)57-23-13-15-25-61(57)65(62)50-20-10-5-11-21-50;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-9-29-21(5)13-25(14-22(29)6)41(26-15-23(7)30(10-2)33(17-26)37(42,43)44,27-16-24(8)31(11-3)34(18-27)38(45,46)47)28-19-35(39(48,49)50)32(12-4)36(20-28)40(51,52)53;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2-43H,1H2;1-32H;9-20H,1-4H2,5-8H3;4-12H,1-3H3;3*1-6,11H;/q;;-1;+1;;;;+3/p-3.

What are the key properties of [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?

[4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane has a molecular weight of 2981.96 g/mol, XLogP of 47.36, 34 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 161335915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).