[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane

C37H38ClNSi — CID 163551090

IUPAC[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-n3c4ccc(Cl)cc4c4cc(C56CC7CC(CC(C7)C5)C6)ccc43)cc2)cc1
InChIInChI=1S/C37H38ClNSi/c1-40(2,3)32-12-6-28(7-13-32)27-4-10-31(11-5-27)39-35-14-8-29(19-33(35)34-20-30(38)9-15-36(34)39)37-21-24-16-25(22-37)18-26(17-24)23-37/h4-15,19-20,24-26H,16-18,21-23H2,1-3H3
InChIKeyFJDFCIDSJJOTKN-UHFFFAOYSA-N
MW560.26 g/mol
LogP10.12
Rot. Bonds4

About [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane

[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 163551090) has the molecular formula C37H38ClNSi and a molecular weight of 560.26 g/mol. Its IUPAC name is [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane
PubChem CID163551090
Molecular FormulaC37H38ClNSi
Molecular Weight560.26 g/mol
Exact Mass559.25
IUPAC Name[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-n3c4ccc(Cl)cc4c4cc(C56CC7CC(CC(C7)C5)C6)ccc43)cc2)cc1
InChIInChI=1S/C37H38ClNSi/c1-40(2,3)32-12-6-28(7-13-32)27-4-10-31(11-5-27)39-35-14-8-29(19-33(35)34-20-30(38)9-15-36(34)39)37-21-24-16-25(22-37)18-26(17-24)23-37/h4-15,19-20,24-26H,16-18,21-23H2,1-3H3
InChIKeyFJDFCIDSJJOTKN-UHFFFAOYSA-N
XLogP10.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.26
LogP ≤ 510.12
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

9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 168808571
6-(1-adamantyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-isocyanophenyl)carbazole
CID 168808083
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
[4-[9-[4-[5-[4-[3,6-bis(4-trimethylsilylphenyl)carbazol-9-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-trimethylsilylphenyl)carbazol-3-yl]phenyl]-trimethylsilane
CID 59372037
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
cyclohexyl-[9-[4-[4-[3-[cyclohexyl(dimethyl)silyl]-6-[cyclopentyl(dimethyl)silyl]carbazol-9-yl]phenyl]phenyl]-6-[cyclopentyl(dimethyl)silyl]carbazol-3-yl]-dimethylsilane
CID 153306981
9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 162083574
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
9-[4-[4-[2-[4-(1-adamantyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole-3-carbonitrile
CID 168808492
4-[4-[9-(4-cyanophenyl)-6-[(3R,7S)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]carbazol-2-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174078976
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane (CID 163551090) is [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-n3c4ccc(Cl)cc4c4cc(C56CC7CC(CC(C7)C5)C6)ccc43)cc2)cc1.
What is the InChIKey of [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is FJDFCIDSJJOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38ClNSi/c1-40(2,3)32-12-6-28(7-13-32)27-4-10-31(11-5-27)39-35-14-8-29(19-33(35)34-20-30(38)9-15-36(34)39)37-21-24-16-25(22-37)18-26(17-24)23-37/h4-15,19-20,24-26H,16-18,21-23H2,1-3H3.
What are the key properties of [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane?
[4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 560.26 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(1-adamantyl)-6-chlorocarbazol-9-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 163551090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).