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

C50H49NO — CID 174312490

IUPAC9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(C(C)(C)C)c34)ccc1-2
InChIInChI=1S/C50H49NO/c1-47(2,3)30-21-24-34-36-26-23-32(29-42(36)50(9,10)40(34)27-30)51(31-22-25-35-33-15-11-12-17-38(33)49(7,8)41(35)28-31)43-19-13-16-37-45-39(48(4,5)6)18-14-20-44(45)52-46(37)43/h11-29H,1-10H3
InChIKeyAJKRPPAETUYNJW-UHFFFAOYSA-N
MW679.95 g/mol
LogP14.26
Rot. Bonds3

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

9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 174312490) has the molecular formula C50H49NO and a molecular weight of 679.95 g/mol. Its IUPAC name is 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID174312490
Molecular FormulaC50H49NO
Molecular Weight679.95 g/mol
Exact Mass679.38
IUPAC Name9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(C(C)(C)C)c34)ccc1-2
InChIInChI=1S/C50H49NO/c1-47(2,3)30-21-24-34-36-26-23-32(29-42(36)50(9,10)40(34)27-30)51(31-22-25-35-33-15-11-12-17-38(33)49(7,8)41(35)28-31)43-19-13-16-37-45-39(48(4,5)6)18-14-20-44(45)52-46(37)43/h11-29H,1-10H3
InChIKeyAJKRPPAETUYNJW-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

7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
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
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine
CID 176821731
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 176751116
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633429
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (CID 174312490) is 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(C(C)(C)C)c34)ccc1-2.
What is the InChIKey of 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is AJKRPPAETUYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NO/c1-47(2,3)30-21-24-34-36-26-23-32(29-42(36)50(9,10)40(34)27-30)51(31-22-25-35-33-15-11-12-17-38(33)49(7,8)41(35)28-31)43-19-13-16-37-45-39(48(4,5)6)18-14-20-44(45)52-46(37)43/h11-29H,1-10H3.
What are the key properties of 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-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 9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 174312490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).