2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine

C61H52N2O — CID 164843679

IUPAC2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C61H52N2O/c1-60(2)55-22-11-9-20-51(55)52-29-28-49(35-56(52)60)63(46-17-7-4-8-18-46)57-36-50(34-54-53-21-10-12-23-58(53)64-59(54)57)62(48-19-13-16-44(33-48)43-14-5-3-6-15-43)47-26-24-45(25-27-47)61-37-40-30-41(38-61)32-42(31-40)39-61/h3-29,33-36,40-42H,30-32,37-39H2,1-2H3
InChIKeyWUIGUJSGQRINPK-UHFFFAOYSA-N
MW829.10 g/mol
LogP16.97
Rot. Bonds8

About 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine

2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine (PubChem CID 164843679) has the molecular formula C61H52N2O and a molecular weight of 829.10 g/mol. Its IUPAC name is 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
PubChem CID164843679
Molecular FormulaC61H52N2O
Molecular Weight829.10 g/mol
Exact Mass828.41
IUPAC Name2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C61H52N2O/c1-60(2)55-22-11-9-20-51(55)52-29-28-49(35-56(52)60)63(46-17-7-4-8-18-46)57-36-50(34-54-53-21-10-12-23-58(53)64-59(54)57)62(48-19-13-16-44(33-48)43-14-5-3-6-15-43)47-26-24-45(25-27-47)61-37-40-30-41(38-61)32-42(31-40)39-61/h3-29,33-36,40-42H,30-32,37-39H2,1-2H3
InChIKeyWUIGUJSGQRINPK-UHFFFAOYSA-N
XLogP16.97
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.10
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine with MolForge

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Related Compounds

N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 158312050
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 169022228
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine?
The IUPAC name of 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine (CID 164843679) is 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine.
What is the SMILES notation for 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine?
The canonical SMILES for 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc(-c5ccccc5)c4)cc4c3oc3ccccc34)cc21.
What is the InChIKey of 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine?
The InChIKey is WUIGUJSGQRINPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N2O/c1-60(2)55-22-11-9-20-51(55)52-29-28-49(35-56(52)60)63(46-17-7-4-8-18-46)57-36-50(34-54-53-21-10-12-23-58(53)64-59(54)57)62(48-19-13-16-44(33-48)43-14-5-3-6-15-43)47-26-24-45(25-27-47)61-37-40-30-41(38-61)32-42(31-40)39-61/h3-29,33-36,40-42H,30-32,37-39H2,1-2H3.
What are the key properties of 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine?
2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine has a molecular weight of 829.10 g/mol, XLogP of 16.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine is sourced from PubChem (CID 164843679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).