6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine

C50H49NO — CID 176751163

IUPAC6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cc3c2c1
InChIInChI=1S/C50H49NO/c1-47(2,3)30-26-37-36-28-31(23-25-44(36)52-46(37)42(27-30)48(4,5)6)51(32-22-24-34-33-16-11-13-18-38(33)50(9,10)41(34)29-32)43-21-15-20-40-45(43)35-17-12-14-19-39(35)49(40,7)8/h11-29H,1-10H3
InChIKeyNTKVYBGTQGKAND-UHFFFAOYSA-N
MW679.95 g/mol
LogP14.26
Rot. Bonds3

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine (PubChem CID 176751163) has the molecular formula C50H49NO and a molecular weight of 679.95 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
PubChem CID176751163
Molecular FormulaC50H49NO
Molecular Weight679.95 g/mol
Exact Mass679.38
IUPAC Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cc3c2c1
InChIInChI=1S/C50H49NO/c1-47(2,3)30-26-37-36-28-31(23-25-44(36)52-46(37)42(27-30)48(4,5)6)51(32-22-24-34-33-16-11-13-18-38(33)50(9,10)41(34)29-32)43-21-15-20-40-45(43)35-17-12-14-19-39(35)49(40,7)8/h11-29H,1-10H3
InChIKeyNTKVYBGTQGKAND-UHFFFAOYSA-N
XLogP14.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.95
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
CID 176821684
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
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
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315361
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
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

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine (CID 176751163) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4-c4ccccc4C5(C)C)cc3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The InChIKey is NTKVYBGTQGKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NO/c1-47(2,3)30-26-37-36-28-31(23-25-44(36)52-46(37)42(27-30)48(4,5)6)51(32-22-24-34-33-16-11-13-18-38(33)50(9,10)41(34)29-32)43-21-15-20-40-45(43)35-17-12-14-19-39(35)49(40,7)8/h11-29H,1-10H3.
What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine has a molecular weight of 679.95 g/mol, XLogP of 14.26, 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-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176751163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).