2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C44H27N3Si — CID 155645736

IUPAC2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C44H27N3Si/c45-28-31-12-11-13-32(29-46)44(31)30-22-24-37-36-18-7-9-20-40(36)47(41(37)26-30)33-23-25-43-39(27-33)38-19-8-10-21-42(38)48(43,34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-27H
InChIKeyFZWWOVGKLJZWEM-UHFFFAOYSA-N
MW625.81 g/mol
LogP7.55
Rot. Bonds4

About 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile

2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 155645736) has the molecular formula C44H27N3Si and a molecular weight of 625.81 g/mol. Its IUPAC name is 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID155645736
Molecular FormulaC44H27N3Si
Molecular Weight625.81 g/mol
Exact Mass625.20
IUPAC Name2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C44H27N3Si/c45-28-31-12-11-13-32(29-46)44(31)30-22-24-37-36-18-7-9-20-40(36)47(41(37)26-30)33-23-25-43-39(27-33)38-19-8-10-21-42(38)48(43,34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-27H
InChIKeyFZWWOVGKLJZWEM-UHFFFAOYSA-N
XLogP7.55
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.81
LogP ≤ 57.55
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

9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873018
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
9-[3-[20-(3-carbazol-9-ylphenyl)-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl]phenyl]carbazole
CID 164739101
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132548
12-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-(5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160624005

Frequently Asked Questions

What is the IUPAC name of 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 155645736) is 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c3ccccc3n(-c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is FZWWOVGKLJZWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3Si/c45-28-31-12-11-13-32(29-46)44(31)30-22-24-37-36-18-7-9-20-40(36)47(41(37)26-30)33-23-25-43-39(27-33)38-19-8-10-21-42(38)48(43,34-14-3-1-4-15-34)35-16-5-2-6-17-35/h1-27H.
What are the key properties of 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 625.81 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155645736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).