4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

C50H49NO — CID 174312572

IUPAC4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)c4oc5ccccc5c4c3)ccc1-2
InChIInChI=1S/C50H49NO/c1-47(2,3)30-19-22-35-37-24-21-32(28-43(37)50(9,10)41(35)25-30)51(31-20-23-36-34-15-11-13-17-40(34)49(7,8)42(36)27-31)33-26-39-38-16-12-14-18-45(38)52-46(39)44(29-33)48(4,5)6/h11-29H,1-10H3
InChIKeyLZKLYJLITRYRJG-UHFFFAOYSA-N
MW679.95 g/mol
LogP14.26
Rot. Bonds3

About 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 174312572) has the molecular formula C50H49NO and a molecular weight of 679.95 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID174312572
Molecular FormulaC50H49NO
Molecular Weight679.95 g/mol
Exact Mass679.38
IUPAC Name4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)c4oc5ccccc5c4c3)ccc1-2
InChIInChI=1S/C50H49NO/c1-47(2,3)30-19-22-35-37-24-21-32(28-43(37)50(9,10)41(35)25-30)51(31-20-23-36-34-15-11-13-17-40(34)49(7,8)42(36)27-31)33-26-39-38-16-12-14-18-45(38)52-46(39)44(29-33)48(4,5)6/h11-29H,1-10H3
InChIKeyLZKLYJLITRYRJG-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

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)-7,9-di(propan-2-yl)dibenzofuran-2-amine
CID 174312671
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
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
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
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
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 174312572) is 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)c4oc5ccccc5c4c3)ccc1-2.
What is the InChIKey of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is LZKLYJLITRYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NO/c1-47(2,3)30-19-22-35-37-24-21-32(28-43(37)50(9,10)41(35)25-30)51(31-20-23-36-34-15-11-13-17-40(34)49(7,8)42(36)27-31)33-26-39-38-16-12-14-18-45(38)52-46(39)44(29-33)48(4,5)6/h11-29H,1-10H3.
What are the key properties of 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-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 4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 174312572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).