7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole

C38H28N2Si — CID 123876607

IUPAC7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21
InChIInChI=1S/C38H28N2Si/c1-41(2)37-19-11-8-16-30(37)32-23-31-28-15-7-10-18-34(28)40(36(31)24-38(32)41)26-20-21-29-27-14-6-9-17-33(27)39(35(29)22-26)25-12-4-3-5-13-25/h3-24H,1-2H3
InChIKeyZHLXRUYEZYUKTO-UHFFFAOYSA-N
MW540.74 g/mol
LogP8.68
Rot. Bonds2

About 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole (PubChem CID 123876607) has the molecular formula C38H28N2Si and a molecular weight of 540.74 g/mol. Its IUPAC name is 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
PubChem CID123876607
Molecular FormulaC38H28N2Si
Molecular Weight540.74 g/mol
Exact Mass540.20
IUPAC Name7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
SMILESC[Si]1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21
InChIInChI=1S/C38H28N2Si/c1-41(2)37-19-11-8-16-30(37)32-23-31-28-15-7-10-18-34(28)40(36(31)24-38(32)41)26-20-21-29-27-14-6-9-17-33(27)39(35(29)22-26)25-12-4-3-5-13-25/h3-24H,1-2H3
InChIKeyZHLXRUYEZYUKTO-UHFFFAOYSA-N
XLogP8.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.74
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 156626520
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
8,11,11-trimethyl-5-(4-methylphenyl)-[1]benzosilolo[3,2-b]carbazole
CID 123546137
8,8,24-triphenyl-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene
CID 177069958
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 140937968
7,7-dimethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-5-phenyl-[1]benzosilolo[2,3-b]carbazole
CID 140747134
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
CID 145241488
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
4-(4-carbazol-9-ylphenyl)-5,5-dimethyl-2-(9-phenylcarbazol-2-yl)-[1]benzosilolo[3,2-d]pyrimidine
CID 154010418

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole (CID 123876607) is 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole is C[Si]1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole?
The InChIKey is ZHLXRUYEZYUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2Si/c1-41(2)37-19-11-8-16-30(37)32-23-31-28-15-7-10-18-34(28)40(36(31)24-38(32)41)26-20-21-29-27-14-6-9-17-33(27)39(35(29)22-26)25-12-4-3-5-13-25/h3-24H,1-2H3.
What are the key properties of 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole?
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole has a molecular weight of 540.74 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole is sourced from PubChem (CID 123876607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).