[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C60H62B2Si — CID 140727486

IUPAC[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-c3ccc4c5c(cccc35)[Si](C)(C)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C60H62B2Si/c1-35-26-39(5)57(40(6)27-35)61(58-41(7)28-36(2)29-42(58)8)48-20-18-47(19-21-48)50-24-25-53-51-23-22-49(34-55(51)63(13,14)54-17-15-16-52(50)56(53)54)62(59-43(9)30-37(3)31-44(59)10)60-45(11)32-38(4)33-46(60)12/h15-34H,1-14H3
InChIKeyDZGGGEANOIUSCM-UHFFFAOYSA-N
MW832.87 g/mol
LogP10.04
Rot. Bonds7

About [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 140727486) has the molecular formula C60H62B2Si and a molecular weight of 832.87 g/mol. Its IUPAC name is [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID140727486
Molecular FormulaC60H62B2Si
Molecular Weight832.87 g/mol
Exact Mass832.48
IUPAC Name[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-c3ccc4c5c(cccc35)[Si](C)(C)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C60H62B2Si/c1-35-26-39(5)57(40(6)27-35)61(58-41(7)28-36(2)29-42(58)8)48-20-18-47(19-21-48)50-24-25-53-51-23-22-49(34-55(51)63(13,14)54-17-15-16-52(50)56(53)54)62(59-43(9)30-37(3)31-44(59)10)60-45(11)32-38(4)33-46(60)12/h15-34H,1-14H3
InChIKeyDZGGGEANOIUSCM-UHFFFAOYSA-N
XLogP10.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.87
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140727613
[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140727450
[5-bis(4-tert-butylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]-bis(4-tert-butylphenyl)borane
CID 140727475
[4-[8-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]naphthalen-1-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 102031859
[5-bis(2,4,6-trimethylphenyl)boranyl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140727606
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(2,4,6-trimethylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757038
8,8,13,13-tetramethyl-5,16-dinaphthalen-1-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182546
8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182791
[5-bis(2,4,6-trimethylphenyl)boranyl-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140727664
bis(2,4,6-trimethylphenyl)-[4-[4-(2,4,6-trimethylphenyl)phenyl]phenyl]borane
CID 102047135
4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline
CID 140757042
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142

Frequently Asked Questions

What is the IUPAC name of [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 140727486) is [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc(-c3ccc4c5c(cccc35)[Si](C)(C)c3cc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is DZGGGEANOIUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62B2Si/c1-35-26-39(5)57(40(6)27-35)61(58-41(7)28-36(2)29-42(58)8)48-20-18-47(19-21-48)50-24-25-53-51-23-22-49(34-55(51)63(13,14)54-17-15-16-52(50)56(53)54)62(59-43(9)30-37(3)31-44(59)10)60-45(11)32-38(4)33-46(60)12/h15-34H,1-14H3.
What are the key properties of [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
[4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 832.87 g/mol, XLogP of 10.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 140727486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).