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

C44H47N — CID 177067969

IUPAC6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C44H47N/c1-41(2,3)28-25-33-39-35(44(9,10)40(33)37(26-28)42(4,5)6)21-16-22-38(39)45(29-17-12-11-13-18-29)30-23-24-32-31-19-14-15-20-34(31)43(7,8)36(32)27-30/h11-27H,1-10H3
InChIKeyIUJPDJKFFKNLBP-UHFFFAOYSA-N
MW589.87 g/mol
LogP12.36
Rot. Bonds3

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

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine (PubChem CID 177067969) has the molecular formula C44H47N and a molecular weight of 589.87 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
PubChem CID177067969
Molecular FormulaC44H47N
Molecular Weight589.87 g/mol
Exact Mass589.37
IUPAC Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C44H47N/c1-41(2,3)28-25-33-39-35(44(9,10)40(33)37(26-28)42(4,5)6)21-16-22-38(39)45(29-17-12-11-13-18-29)30-23-24-32-31-19-14-15-20-34(31)43(7,8)36(32)27-30/h11-27H,1-10H3
InChIKeyIUJPDJKFFKNLBP-UHFFFAOYSA-N
XLogP12.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.87
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
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-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine?
The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine (CID 177067969) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine?
The InChIKey is IUJPDJKFFKNLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N/c1-41(2,3)28-25-33-39-35(44(9,10)40(33)37(26-28)42(4,5)6)21-16-22-38(39)45(29-17-12-11-13-18-29)30-23-24-32-31-19-14-15-20-34(31)43(7,8)36(32)27-30/h11-27H,1-10H3.
What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine?
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine has a molecular weight of 589.87 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine is sourced from PubChem (CID 177067969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).