3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane

C75H54N2O2Si — CID 159059972

IUPAC3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2c1oc1c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C39H31NOSi.C36H23NO/c1-42(2,3)37-19-11-18-32-31-17-10-16-30(38(31)41-39(32)37)28-21-23-36-34(25-28)33-24-27(26-12-6-4-7-13-26)20-22-35(33)40(36)29-14-8-5-9-15-29;1-3-10-24(11-4-1)25-18-20-33-31(22-25)32-23-26(19-21-34(32)37(33)27-12-5-2-6-13-27)28-15-9-16-30-29-14-7-8-17-35(29)38-36(28)30/h4-25H,1-3H3;1-23H
InChIKeyJYILVBBQIMFWTO-UHFFFAOYSA-N
MW1043.36 g/mol
LogP20.58
Rot. Bonds7

About 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane

3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane (PubChem CID 159059972) has the molecular formula C75H54N2O2Si and a molecular weight of 1043.36 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane
PubChem CID159059972
Molecular FormulaC75H54N2O2Si
Molecular Weight1043.36 g/mol
Exact Mass1042.40
IUPAC Name3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc2c1oc1c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C39H31NOSi.C36H23NO/c1-42(2,3)37-19-11-18-32-31-17-10-16-30(38(31)41-39(32)37)28-21-23-36-34(25-28)33-24-27(26-12-6-4-7-13-26)20-22-35(33)40(36)29-14-8-5-9-15-29;1-3-10-24(11-4-1)25-18-20-33-31(22-25)32-23-26(19-21-34(32)37(33)27-12-5-2-6-13-27)28-15-9-16-30-29-14-7-8-17-35(29)38-36(28)30/h4-25H,1-3H3;1-23H
InChIKeyJYILVBBQIMFWTO-UHFFFAOYSA-N
XLogP20.58
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.36
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 122501692
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane?
The IUPAC name of 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane (CID 159059972) is 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane.
What is the SMILES notation for 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane?
The canonical SMILES for 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane is C[Si](C)(C)c1cccc2c1oc1c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane?
The InChIKey is JYILVBBQIMFWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31NOSi.C36H23NO/c1-42(2,3)37-19-11-18-32-31-17-10-16-30(38(31)41-39(32)37)28-21-23-36-34(25-28)33-24-27(26-12-6-4-7-13-26)20-22-35(33)40(36)29-14-8-5-9-15-29;1-3-10-24(11-4-1)25-18-20-33-31(22-25)32-23-26(19-21-34(32)37(33)27-12-5-2-6-13-27)28-15-9-16-30-29-14-7-8-17-35(29)38-36(28)30/h4-25H,1-3H3;1-23H.
What are the key properties of 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane?
3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane has a molecular weight of 1043.36 g/mol, XLogP of 20.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-6,9-diphenylcarbazole;[6-(6,9-diphenylcarbazol-3-yl)dibenzofuran-4-yl]-trimethylsilane is sourced from PubChem (CID 159059972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).