2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

C45H35N3Si — CID 140805258

IUPAC2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C45H35N3Si/c1-45(2)35-22-12-8-18-29(35)33-27-39-34(26-36(33)45)30-19-9-13-23-37(30)48(39)38-24-14-10-20-31(38)43-46-42(28-16-6-5-7-17-28)41-32-21-11-15-25-40(32)49(3,4)44(41)47-43/h5-27H,1-4H3
InChIKeyUXQYMHRVGFKNMM-UHFFFAOYSA-N
MW645.88 g/mol
LogP10.02
Rot. Bonds3

About 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 140805258) has the molecular formula C45H35N3Si and a molecular weight of 645.88 g/mol. Its IUPAC name is 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID140805258
Molecular FormulaC45H35N3Si
Molecular Weight645.88 g/mol
Exact Mass645.26
IUPAC Name2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C45H35N3Si/c1-45(2)35-22-12-8-18-29(35)33-27-39-34(26-36(33)45)30-19-9-13-23-37(30)48(39)38-24-14-10-20-31(38)43-46-42(28-16-6-5-7-17-28)41-32-21-11-15-25-40(32)49(3,4)44(41)47-43/h5-27H,1-4H3
InChIKeyUXQYMHRVGFKNMM-UHFFFAOYSA-N
XLogP10.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.88
LogP ≤ 510.02
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

4-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140805585
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805947
9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
12-[2-(9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805651
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805888
2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010624
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5,5-dimethyl-4-phenyl-2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140804939
5-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 130333683
5-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 130333673
11-[2-(4,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805068
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169059992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 140805258) is 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)c2c(n1)[Si](C)(C)c1ccccc1-2.
What is the InChIKey of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is UXQYMHRVGFKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3Si/c1-45(2)35-22-12-8-18-29(35)33-27-39-34(26-36(33)45)30-19-9-13-23-37(30)48(39)38-24-14-10-20-31(38)43-46-42(28-16-6-5-7-17-28)41-32-21-11-15-25-40(32)49(3,4)44(41)47-43/h5-27H,1-4H3.
What are the key properties of 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?
2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 645.88 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 140805258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).