4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine

C47H30N2Si — CID 160536418

IUPAC4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc3c2Cc2c(-c4ccccc4)nc(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc2-3)cc1
InChIInChI=1S/C47H30N2Si/c1-3-14-30(15-4-1)33-21-13-22-38-39(33)29-40-45(31-16-5-2-6-17-31)48-47(49-46(38)40)32-26-27-37-36-20-9-12-25-43(36)50(44(37)28-32)41-23-10-7-18-34(41)35-19-8-11-24-42(35)50/h1-28H,29H2
InChIKeyBIDXINYMXKJSPD-UHFFFAOYSA-N
MW650.86 g/mol
LogP8.39
Rot. Bonds3

About 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine

4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine (PubChem CID 160536418) has the molecular formula C47H30N2Si and a molecular weight of 650.86 g/mol. Its IUPAC name is 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
PubChem CID160536418
Molecular FormulaC47H30N2Si
Molecular Weight650.86 g/mol
Exact Mass650.22
IUPAC Name4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc3c2Cc2c(-c4ccccc4)nc(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc2-3)cc1
InChIInChI=1S/C47H30N2Si/c1-3-14-30(15-4-1)33-21-13-22-38-39(33)29-40-45(31-16-5-2-6-17-31)48-47(49-46(38)40)32-26-27-37-36-20-9-12-25-43(36)50(44(37)28-32)41-23-10-7-18-34(41)35-19-8-11-24-42(35)50/h1-28H,29H2
InChIKeyBIDXINYMXKJSPD-UHFFFAOYSA-N
XLogP8.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.86
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
CID 160536417
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 142551237
2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155787286
6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
CID 118243379
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine (CID 160536418) is 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2cccc3c2Cc2c(-c4ccccc4)nc(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc2-3)cc1.
What is the InChIKey of 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine?
The InChIKey is BIDXINYMXKJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2Si/c1-3-14-30(15-4-1)33-21-13-22-38-39(33)29-40-45(31-16-5-2-6-17-31)48-47(49-46(38)40)32-26-27-37-36-20-9-12-25-43(36)50(44(37)28-32)41-23-10-7-18-34(41)35-19-8-11-24-42(35)50/h1-28H,29H2.
What are the key properties of 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine?
4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine has a molecular weight of 650.86 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 160536418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).