[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane

C45H39N3Si — CID 176645488

IUPAC[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)c4)n3)cccc21
InChIInChI=1S/C45H39N3Si/c1-45(2)39-22-10-9-20-37(39)41-38(21-13-23-40(41)45)44-47-42(31-14-7-6-8-15-31)46-43(48-44)35-19-12-18-34(29-35)33-17-11-16-32(28-33)30-24-26-36(27-25-30)49(3,4)5/h6-29H,1-5H3
InChIKeyUUHIXDKVJFQSQO-UHFFFAOYSA-N
MW649.91 g/mol
LogP11.06
Rot. Bonds6

About [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane

[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645488) has the molecular formula C45H39N3Si and a molecular weight of 649.91 g/mol. Its IUPAC name is [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID176645488
Molecular FormulaC45H39N3Si
Molecular Weight649.91 g/mol
Exact Mass649.29
IUPAC Name[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)c4)n3)cccc21
InChIInChI=1S/C45H39N3Si/c1-45(2)39-22-10-9-20-37(39)41-38(21-13-23-40(41)45)44-47-42(31-14-7-6-8-15-31)46-43(48-44)35-19-12-18-34(29-35)33-17-11-16-32(28-33)30-24-26-36(27-25-30)49(3,4)5/h6-29H,1-5H3
InChIKeyUUHIXDKVJFQSQO-UHFFFAOYSA-N
XLogP11.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.91
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
[4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645396
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 174282209
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane
CID 176645210
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2-(9,9-dimethylfluoren-4-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150402
trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645442
[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088012

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645488) is [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)c4)n3)cccc21.
What is the InChIKey of [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is UUHIXDKVJFQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N3Si/c1-45(2)39-22-10-9-20-37(39)41-38(21-13-23-40(41)45)44-47-42(31-14-7-6-8-15-31)46-43(48-44)35-19-12-18-34(29-35)33-17-11-16-32(28-33)30-24-26-36(27-25-30)49(3,4)5/h6-29H,1-5H3.
What are the key properties of [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane?
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 649.91 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).