6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

C47H45NO — CID 176751175

IUPAC6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc3c2c1
InChIInChI=1S/C47H45NO/c1-45(2,3)32-27-38-37-21-15-23-42(44(37)49-43(38)41(28-32)46(4,5)6)48(33-19-14-18-31(26-33)30-16-10-9-11-17-30)34-24-25-36-35-20-12-13-22-39(35)47(7,8)40(36)29-34/h9-29H,1-8H3
InChIKeyMLSYBSHMLZYGQJ-UHFFFAOYSA-N
MW639.88 g/mol
LogP13.62
Rot. Bonds4

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 176751175) has the molecular formula C47H45NO and a molecular weight of 639.88 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID176751175
Molecular FormulaC47H45NO
Molecular Weight639.88 g/mol
Exact Mass639.35
IUPAC Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc3c2c1
InChIInChI=1S/C47H45NO/c1-45(2,3)32-27-38-37-21-15-23-42(44(37)49-43(38)41(28-32)46(4,5)6)48(33-19-14-18-31(26-33)30-16-10-9-11-17-30)34-24-25-36-35-20-12-13-22-39(35)47(7,8)40(36)29-34/h9-29H,1-8H3
InChIKeyMLSYBSHMLZYGQJ-UHFFFAOYSA-N
XLogP13.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.88
LogP ≤ 513.62
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
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-2-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751229
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160831639
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
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
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-tert-butyl-8-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313552

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 176751175) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cccc3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MLSYBSHMLZYGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45NO/c1-45(2,3)32-27-38-37-21-15-23-42(44(37)49-43(38)41(28-32)46(4,5)6)48(33-19-14-18-31(26-33)30-16-10-9-11-17-30)34-24-25-36-35-20-12-13-22-39(35)47(7,8)40(36)29-34/h9-29H,1-8H3.
What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 639.88 g/mol, XLogP of 13.62, 4 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-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 176751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).