[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane

C50H42OSi2 — CID 69098117

IUPAC[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2oc3c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)cc([Si](C)(C)C)cc3c2c1
InChIInChI=1S/C50H42OSi2/c1-52(2,3)33-24-27-44-41(28-33)43-30-34(53(4,5)6)29-42(50(43)51-44)35-25-26-40-47-36(35)22-15-23-39(47)48-45(31-16-9-7-10-17-31)37-20-13-14-21-38(37)46(49(40)48)32-18-11-8-12-19-32/h7-30H,1-6H3
InChIKeyKPYBZNRHFNVZRY-UHFFFAOYSA-N
MW715.06 g/mol
LogP13.63
Rot. Bonds5

About [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane

[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane (PubChem CID 69098117) has the molecular formula C50H42OSi2 and a molecular weight of 715.06 g/mol. Its IUPAC name is [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane
PubChem CID69098117
Molecular FormulaC50H42OSi2
Molecular Weight715.06 g/mol
Exact Mass714.28
IUPAC Name[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2oc3c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)cc([Si](C)(C)C)cc3c2c1
InChIInChI=1S/C50H42OSi2/c1-52(2,3)33-24-27-44-41(28-33)43-30-34(53(4,5)6)29-42(50(43)51-44)35-25-26-40-47-36(35)22-15-23-39(47)48-45(31-16-9-7-10-17-31)37-20-13-14-21-38(37)46(49(40)48)32-18-11-8-12-19-32/h7-30H,1-6H3
InChIKeyKPYBZNRHFNVZRY-UHFFFAOYSA-N
XLogP13.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.06
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518

Frequently Asked Questions

What is the IUPAC name of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane?
The IUPAC name of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane (CID 69098117) is [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane.
What is the SMILES notation for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane?
The canonical SMILES for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane is C[Si](C)(C)c1ccc2oc3c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)cc([Si](C)(C)C)cc3c2c1.
What is the InChIKey of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane?
The InChIKey is KPYBZNRHFNVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42OSi2/c1-52(2,3)33-24-27-44-41(28-33)43-30-34(53(4,5)6)29-42(50(43)51-44)35-25-26-40-47-36(35)22-15-23-39(47)48-45(31-16-9-7-10-17-31)37-20-13-14-21-38(37)46(49(40)48)32-18-11-8-12-19-32/h7-30H,1-6H3.
What are the key properties of [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane?
[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane has a molecular weight of 715.06 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-trimethylsilyldibenzofuran-2-yl]-trimethylsilane is sourced from PubChem (CID 69098117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).