[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin

C87H110OSn2 — CID 139111184

IUPAC[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Sn]c2cccc3c2Oc2c([Sn]c4c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cccc4-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc2C3(C)C)c(C(C)C)c1
InChIInChI=1S/2C36H49.C15H12O.2Sn/c2*1-21(2)29-17-31(23(5)6)35(32(18-29)24(7)8)27-14-13-15-28(16-27)36-33(25(9)10)19-30(22(3)4)20-34(36)26(11)12;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;;/h2*13-15,17-26H,1-12H3;3-8H,1-2H3;;
InChIKeyBZSYUPBVDZPYAZ-UHFFFAOYSA-N
MW1409.26 g/mol
LogP23.58
Rot. Bonds20

About [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin (PubChem CID 139111184) has the molecular formula C87H110OSn2 and a molecular weight of 1409.26 g/mol. Its IUPAC name is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin.

Molecular Properties

Compound Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin
PubChem CID139111184
Molecular FormulaC87H110OSn2
Molecular Weight1409.26 g/mol
Exact Mass1410.66
IUPAC Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Sn]c2cccc3c2Oc2c([Sn]c4c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cccc4-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc2C3(C)C)c(C(C)C)c1
InChIInChI=1S/2C36H49.C15H12O.2Sn/c2*1-21(2)29-17-31(23(5)6)35(32(18-29)24(7)8)27-14-13-15-28(16-27)36-33(25(9)10)19-30(22(3)4)20-34(36)26(11)12;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;;/h2*13-15,17-26H,1-12H3;3-8H,1-2H3;;
InChIKeyBZSYUPBVDZPYAZ-UHFFFAOYSA-N
XLogP23.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.26
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin?
The IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin (CID 139111184) is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin.
What is the SMILES notation for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin?
The canonical SMILES for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin is CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Sn]c2cccc3c2Oc2c([Sn]c4c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)cccc4-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc2C3(C)C)c(C(C)C)c1.
What is the InChIKey of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin?
The InChIKey is BZSYUPBVDZPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H49.C15H12O.2Sn/c2*1-21(2)29-17-31(23(5)6)35(32(18-29)24(7)8)27-14-13-15-28(16-27)36-33(25(9)10)19-30(22(3)4)20-34(36)26(11)12;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;;/h2*13-15,17-26H,1-12H3;3-8H,1-2H3;;.
What are the key properties of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin?
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin has a molecular weight of 1409.26 g/mol, XLogP of 23.58, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-[5-[[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-λ2-stannanyl]-9,9-dimethylxanthen-4-yl]tin is sourced from PubChem (CID 139111184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).