1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole

C100H74N2Si2 — CID 160639859

IUPAC1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21.C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc21
InChIInChI=1S/C54H39NSi.C46H35NSi/c1-56(2)53-20-8-7-17-48(53)49-31-30-43(34-54(49)56)55-35-51(41-27-25-40(26-28-41)47-19-10-14-38-12-4-6-16-45(38)47)50-33-42(29-32-52(50)55)36-21-23-39(24-22-36)46-18-9-13-37-11-3-5-15-44(37)46;1-48(2)45-16-10-9-15-40(45)41-27-26-39(30-46(41)48)47-31-43(37-23-21-35(22-24-37)33-13-7-4-8-14-33)42-29-38(25-28-44(42)47)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-35H,1-2H3;3-31H,1-2H3
InChIKeyRJAMPXBTODTLER-UHFFFAOYSA-N
MW1359.88 g/mol
LogP24.51
Rot. Bonds10

About 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole

1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole (PubChem CID 160639859) has the molecular formula C100H74N2Si2 and a molecular weight of 1359.88 g/mol. Its IUPAC name is 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole.

Molecular Properties

Compound Name1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
PubChem CID160639859
Molecular FormulaC100H74N2Si2
Molecular Weight1359.88 g/mol
Exact Mass1358.54
IUPAC Name1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21.C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc21
InChIInChI=1S/C54H39NSi.C46H35NSi/c1-56(2)53-20-8-7-17-48(53)49-31-30-43(34-54(49)56)55-35-51(41-27-25-40(26-28-41)47-19-10-14-38-12-4-6-16-45(38)47)50-33-42(29-32-52(50)55)36-21-23-39(24-22-36)46-18-9-13-37-11-3-5-15-44(37)46;1-48(2)45-16-10-9-15-40(45)41-27-26-39(30-46(41)48)47-31-43(37-23-21-35(22-24-37)33-13-7-4-8-14-33)42-29-38(25-28-44(42)47)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-35H,1-2H3;3-31H,1-2H3
InChIKeyRJAMPXBTODTLER-UHFFFAOYSA-N
XLogP24.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.88
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole with MolForge

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Related Compounds

1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
CID 140898660
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-di(phenanthren-9-yl)indole
CID 140898678
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
CID 126620415
3-bromo-5,5-dimethylbenzo[b][1]benzosilole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole;methane;molecular hydrogen;9-[4-[3-(4-phenanthren-9-ylphenyl)-1H-inden-5-yl]phenyl]phenanthrene
CID 160540414
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 157199646
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
CID 161483514
10,10-dimethyl-17-naphthalen-1-yl-14-phenyl-21-(3-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 173480986
10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 91239969
1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713
3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 156626520

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole?
The IUPAC name of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole (CID 160639859) is 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole.
What is the SMILES notation for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole?
The canonical SMILES for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole is C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21.C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc21.
What is the InChIKey of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole?
The InChIKey is RJAMPXBTODTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NSi.C46H35NSi/c1-56(2)53-20-8-7-17-48(53)49-31-30-43(34-54(49)56)55-35-51(41-27-25-40(26-28-41)47-19-10-14-38-12-4-6-16-45(38)47)50-33-42(29-32-52(50)55)36-21-23-39(24-22-36)46-18-9-13-37-11-3-5-15-44(37)46;1-48(2)45-16-10-9-15-40(45)41-27-26-39(30-46(41)48)47-31-43(37-23-21-35(22-24-37)33-13-7-4-8-14-33)42-29-38(25-28-44(42)47)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-35H,1-2H3;3-31H,1-2H3.
What are the key properties of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole?
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole has a molecular weight of 1359.88 g/mol, XLogP of 24.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole is sourced from PubChem (CID 160639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).