6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

C49H49NOSi — CID 176751202

IUPAC6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)[Si](C)(C)c4ccccc4-5)ccc3c2c1
InChIInChI=1S/C49H49NOSi/c1-47(2,3)30-25-39-36-23-20-32(28-43(36)51-46(39)42(26-30)48(4,5)6)50(31-19-22-35-34-15-11-13-17-40(34)49(7,8)41(35)27-31)33-21-24-38-37-16-12-14-18-44(37)52(9,10)45(38)29-33/h11-29H,1-10H3
InChIKeyBOWSBKKISGKSMM-UHFFFAOYSA-N
MW696.02 g/mol
LogP12.76
Rot. Bonds3

About 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 176751202) has the molecular formula C49H49NOSi and a molecular weight of 696.02 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID176751202
Molecular FormulaC49H49NOSi
Molecular Weight696.02 g/mol
Exact Mass695.36
IUPAC Name6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)[Si](C)(C)c4ccccc4-5)ccc3c2c1
InChIInChI=1S/C49H49NOSi/c1-47(2,3)30-25-39-36-23-20-32(28-43(36)51-46(39)42(26-30)48(4,5)6)50(31-19-22-35-34-15-11-13-17-40(34)49(7,8)41(35)27-31)33-21-24-38-37-16-12-14-18-44(37)52(9,10)45(38)29-33/h11-29H,1-10H3
InChIKeyBOWSBKKISGKSMM-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.02
LogP ≤ 512.76
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

6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751242
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
5,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-18-amine
CID 176821887
7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751052
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
CID 176821721

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (CID 176751202) is 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)[Si](C)(C)c4ccccc4-5)ccc3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is BOWSBKKISGKSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49NOSi/c1-47(2,3)30-25-39-36-23-20-32(28-43(36)51-46(39)42(26-30)48(4,5)6)50(31-19-22-35-34-15-11-13-17-40(34)49(7,8)41(35)27-31)33-21-24-38-37-16-12-14-18-44(37)52(9,10)45(38)29-33/h11-29H,1-10H3.
What are the key properties of 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 696.02 g/mol, XLogP of 12.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).