[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide

C65H79N2OW- — CID 58460767

About [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide (PubChem CID 58460767) has the molecular formula C65H79N2OW- and a molecular weight of 1088.20 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide.

Molecular Properties

• Compound Name: [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide
• PubChem CID: 58460767
• Molecular Formula: C65H79N2OW-
• Molecular Weight: 1088.20 g/mol
• Exact Mass: 1087.57
• IUPAC Name: [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide
• SMILES: CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cc(C)c(-c2cc3c(c(C4=C5CCCCC5=C[C@H](c5c(C)cc(C)cc5C)C4C)c2O)CCCC3)c(C)c1.c1cc[n-]c1
• InChI: InChI=1S/C39H46O.C12H17N.C10H12.C4H4N.W/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;/h16-21,28,33,40H,8-15H2,1-7H3;5-9H,1-4H3;1,4-8H,2-3H3;1-4H;/q;;;-1;/t28?,33-;;;;/m0..../s1
• InChIKey: MDDOVPBNDBCZAQ-ONWWVISJSA-N
• XLogP: 17.73
• TPSA: 46.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.20
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide?

The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide (CID 58460767) is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide.

What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide?

The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide is CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)c1ccccc1.Cc1cc(C)c(-c2cc3c(c(C4=C5CCCCC5=C[C@H](c5c(C)cc(C)cc5C)C4C)c2O)CCCC3)c(C)c1.c1cc[n-]c1.

What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide?

The InChIKey is MDDOVPBNDBCZAQ-ONWWVISJSA-N. The full InChI is InChI=1S/C39H46O.C12H17N.C10H12.C4H4N.W/c1-22-16-24(3)35(25(4)17-22)33-20-29-12-8-10-14-31(29)37(28(33)7)38-32-15-11-9-13-30(32)21-34(39(38)40)36-26(5)18-23(2)19-27(36)6;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;/h16-21,28,33,40H,8-15H2,1-7H3;5-9H,1-4H3;1,4-8H,2-3H3;1-4H;/q;;;-1;/t28?,33-;;;;/m0..../s1.

What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide?

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide has a molecular weight of 1088.20 g/mol, XLogP of 17.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1-[(3S)-2-methyl-3-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrol-1-ide is sourced from PubChem (CID 58460767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).