N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine

C78H54N2Si2 — CID 144766102

IUPACN-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C78H54N2Si2/c1-7-23-55(24-8-1)56-39-43-60(44-40-56)79(61-45-49-77-71(53-61)68-36-20-22-38-75(68)81(77,63-27-11-3-12-28-63)64-29-13-4-14-30-64)62-46-50-78-72(54-62)70-52-58(42-48-76(70)82(78,65-31-15-5-16-32-65)66-33-17-6-18-34-66)57-41-47-74-69(51-57)67-35-19-21-37-73(67)80(74)59-25-9-2-10-26-59/h1-54H
InChIKeyVNCKPERBCMBKFI-UHFFFAOYSA-N
MW1075.48 g/mol
LogP14.30
Rot. Bonds10

About N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine

N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine (PubChem CID 144766102) has the molecular formula C78H54N2Si2 and a molecular weight of 1075.48 g/mol. Its IUPAC name is N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine.

Molecular Properties

Compound NameN-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
PubChem CID144766102
Molecular FormulaC78H54N2Si2
Molecular Weight1075.48 g/mol
Exact Mass1074.38
IUPAC NameN-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C78H54N2Si2/c1-7-23-55(24-8-1)56-39-43-60(44-40-56)79(61-45-49-77-71(53-61)68-36-20-22-38-75(68)81(77,63-27-11-3-12-28-63)64-29-13-4-14-30-64)62-46-50-78-72(54-62)70-52-58(42-48-76(70)82(78,65-31-15-5-16-32-65)66-33-17-6-18-34-66)57-41-47-74-69(51-57)67-35-19-21-37-73(67)80(74)59-25-9-2-10-26-59/h1-54H
InChIKeyVNCKPERBCMBKFI-UHFFFAOYSA-N
XLogP14.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.48
LogP ≤ 514.30
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

5,5-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-trimethylsilylphenyl)phenyl]benzo[b][1]benzosilol-2-amine
CID 90195239
2,6-bis(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-N,N-bis(4-phenylphenyl)aniline;2,6-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-N,N-bis(4-phenylphenyl)aniline;2,6-bis(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)aniline;2,6-bis(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 157290740
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]phenanthren-9-amine
CID 140728886
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836

Frequently Asked Questions

What is the IUPAC name of N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The IUPAC name of N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine (CID 144766102) is N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine.
What is the SMILES notation for N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The canonical SMILES for N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The InChIKey is VNCKPERBCMBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2Si2/c1-7-23-55(24-8-1)56-39-43-60(44-40-56)79(61-45-49-77-71(53-61)68-36-20-22-38-75(68)81(77,63-27-11-3-12-28-63)64-29-13-4-14-30-64)62-46-50-78-72(54-62)70-52-58(42-48-76(70)82(78,65-31-15-5-16-32-65)66-33-17-6-18-34-66)57-41-47-74-69(51-57)67-35-19-21-37-73(67)80(74)59-25-9-2-10-26-59/h1-54H.
What are the key properties of N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine has a molecular weight of 1075.48 g/mol, XLogP of 14.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine is sourced from PubChem (CID 144766102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).