3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

C38H27N3Si — CID 153487902

IUPAC3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESC[Si]1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cccc(-c3cccnc3C#N)c2)c1
InChIInChI=1S/C38H27N3Si/c1-42(2)36-18-6-4-14-30(36)31-19-20-35-37(38(31)42)32-15-3-5-17-34(32)41(35)28-13-8-11-26(23-28)25-10-7-12-27(22-25)29-16-9-21-40-33(29)24-39/h3-23H,1-2H3
InChIKeyWJZSAINFRZZFKF-UHFFFAOYSA-N
MW553.74 g/mol
LogP8.19
Rot. Bonds3

About 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 153487902) has the molecular formula C38H27N3Si and a molecular weight of 553.74 g/mol. Its IUPAC name is 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
PubChem CID153487902
Molecular FormulaC38H27N3Si
Molecular Weight553.74 g/mol
Exact Mass553.20
IUPAC Name3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
SMILESC[Si]1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cccc(-c3cccnc3C#N)c2)c1
InChIInChI=1S/C38H27N3Si/c1-42(2)36-18-6-4-14-30(36)31-19-20-35-37(38(31)42)32-15-3-5-17-34(32)41(35)28-13-8-11-26(23-28)25-10-7-12-27(22-25)29-16-9-21-40-33(29)24-39/h3-23H,1-2H3
InChIKeyWJZSAINFRZZFKF-UHFFFAOYSA-N
XLogP8.19
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.74
LogP ≤ 58.19
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

3-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543871
3-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile;5-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile;5-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 159869508
3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
CID 132917496
2-(3-benzo[c]carbazol-7-ylphenyl)-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 160505311
4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543402
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 146973645
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 160506693
9-[3-[3-(2-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[3-(3-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[3-(4-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[3-(5-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[3-(6-cyano-2-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 162214760
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (CID 153487902) is 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is C[Si]1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2cccc(-c3cccnc3C#N)c2)c1.
What is the InChIKey of 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is WJZSAINFRZZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3Si/c1-42(2)36-18-6-4-14-30(36)31-19-20-35-37(38(31)42)32-15-3-5-17-34(32)41(35)28-13-8-11-26(23-28)25-10-7-12-27(22-25)29-16-9-21-40-33(29)24-39/h3-23H,1-2H3.
What are the key properties of 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?
3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile has a molecular weight of 553.74 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(12,12-dimethyl-[1]benzosilolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 153487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).