2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

C63H53NO — CID 177067783

IUPAC2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c1C(C)(C)C)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H53NO/c1-61(2,3)54-41-53-58(50-27-16-18-30-52(50)63(53,45-23-12-8-13-24-45)46-25-14-9-15-26-46)60(59(54)62(4,5)6)64(47-37-33-43(34-38-47)42-21-10-7-11-22-42)48-39-35-44(36-40-48)49-29-20-32-56-57(49)51-28-17-19-31-55(51)65-56/h7-41H,1-6H3
InChIKeyMPHTYUAQDXQTEU-UHFFFAOYSA-N
MW840.12 g/mol
LogP17.35
Rot. Bonds7

About 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 177067783) has the molecular formula C63H53NO and a molecular weight of 840.12 g/mol. Its IUPAC name is 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID177067783
Molecular FormulaC63H53NO
Molecular Weight840.12 g/mol
Exact Mass839.41
IUPAC Name2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c1C(C)(C)C)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C63H53NO/c1-61(2,3)54-41-53-58(50-27-16-18-30-52(50)63(53,45-23-12-8-13-24-45)46-25-14-9-15-26-46)60(59(54)62(4,5)6)64(47-37-33-43(34-38-47)42-21-10-7-11-22-42)48-39-35-44(36-40-48)49-29-20-32-56-57(49)51-28-17-19-31-55(51)65-56/h7-41H,1-6H3
InChIKeyMPHTYUAQDXQTEU-UHFFFAOYSA-N
XLogP17.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.12
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067740
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
2'-tert-butyl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 167056821
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162254274
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 177067783) is 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is CC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c1C(C)(C)C)-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is MPHTYUAQDXQTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53NO/c1-61(2,3)54-41-53-58(50-27-16-18-30-52(50)63(53,45-23-12-8-13-24-45)46-25-14-9-15-26-46)60(59(54)62(4,5)6)64(47-37-33-43(34-38-47)42-21-10-7-11-22-42)48-39-35-44(36-40-48)49-29-20-32-56-57(49)51-28-17-19-31-55(51)65-56/h7-41H,1-6H3.
What are the key properties of 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 840.12 g/mol, XLogP of 17.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 177067783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).