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

C46H41NO — CID 174312877

IUPAC9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cccc2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c12
InChIInChI=1S/C46H41NO/c1-44(2,3)38-17-12-18-42-43(38)35-25-28(21-24-41(35)48-42)47(29-19-22-33-31-13-8-10-15-36(31)45(4,5)39(33)26-29)30-20-23-34-32-14-9-11-16-37(32)46(6,7)40(34)27-30/h8-27H,1-7H3
InChIKeyQXZIEQWQFRUZNJ-UHFFFAOYSA-N
MW623.84 g/mol
LogP12.97
Rot. Bonds3

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

9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 174312877) has the molecular formula C46H41NO and a molecular weight of 623.84 g/mol. Its IUPAC name is 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID174312877
Molecular FormulaC46H41NO
Molecular Weight623.84 g/mol
Exact Mass623.32
IUPAC Name9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC(C)(C)c1cccc2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c12
InChIInChI=1S/C46H41NO/c1-44(2,3)38-17-12-18-42-43(38)35-25-28(21-24-41(35)48-42)47(29-19-22-33-31-13-8-10-15-36(31)45(4,5)39(33)26-29)30-20-23-34-32-14-9-11-16-37(32)46(6,7)40(34)27-30/h8-27H,1-7H3
InChIKeyQXZIEQWQFRUZNJ-UHFFFAOYSA-N
XLogP12.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176751030
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
CID 176821901
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050244
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
N-[11-(2-tert-butylphenyl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801663
6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
CID 174311871
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463065
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 174312877) is 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC(C)(C)c1cccc2oc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c12.
What is the InChIKey of 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is QXZIEQWQFRUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41NO/c1-44(2,3)38-17-12-18-42-43(38)35-25-28(21-24-41(35)48-42)47(29-19-22-33-31-13-8-10-15-36(31)45(4,5)39(33)26-29)30-20-23-34-32-14-9-11-16-37(32)46(6,7)40(34)27-30/h8-27H,1-7H3.
What are the key properties of 9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 623.84 g/mol, XLogP of 12.97, 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,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 174312877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).