N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine

C56H42N2OSi — CID 144766137

IUPACN-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine
SMILESC[Si]1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc4c3oc3ccccc34)CC21
InChIInChI=1S/C56H42N2OSi/c1-60(2)54-22-11-8-17-46(54)47-33-32-43(36-55(47)60)57(52-20-12-18-48-45-16-7-10-21-53(45)59-56(48)52)42-30-27-38(28-31-42)37-23-25-39(26-24-37)40-29-34-51-49(35-40)44-15-6-9-19-50(44)58(51)41-13-4-3-5-14-41/h3-35,55H,36H2,1-2H3
InChIKeyCECIQWLUVXSKCC-UHFFFAOYSA-N
MW787.05 g/mol
LogP14.83
Rot. Bonds6

About N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine

N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 144766137) has the molecular formula C56H42N2OSi and a molecular weight of 787.05 g/mol. Its IUPAC name is N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID144766137
Molecular FormulaC56H42N2OSi
Molecular Weight787.05 g/mol
Exact Mass786.31
IUPAC NameN-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine
SMILESC[Si]1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc4c3oc3ccccc34)CC21
InChIInChI=1S/C56H42N2OSi/c1-60(2)54-22-11-8-17-46(54)47-33-32-43(36-55(47)60)57(52-20-12-18-48-45-16-7-10-21-53(45)59-56(48)52)42-30-27-38(28-31-42)37-23-25-39(26-24-37)40-29-34-51-49(35-40)44-15-6-9-19-50(44)58(51)41-13-4-3-5-14-41/h3-35,55H,36H2,1-2H3
InChIKeyCECIQWLUVXSKCC-UHFFFAOYSA-N
XLogP14.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.05
LogP ≤ 514.83
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

4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
CID 90207080
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine (CID 144766137) is N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine is C[Si]1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc4c3oc3ccccc34)CC21.
What is the InChIKey of N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is CECIQWLUVXSKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2OSi/c1-60(2)54-22-11-8-17-46(54)47-33-32-43(36-55(47)60)57(52-20-12-18-48-45-16-7-10-21-53(45)59-56(48)52)42-30-27-38(28-31-42)37-23-25-39(26-24-37)40-29-34-51-49(35-40)44-15-6-9-19-50(44)58(51)41-13-4-3-5-14-41/h3-35,55H,36H2,1-2H3.
What are the key properties of N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine?
N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 787.05 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 144766137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).