N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine

C59H45NO — CID 167218680

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21
InChIInChI=1S/C59H45NO/c1-58(2)51-25-12-10-22-46(51)47-31-29-43(36-53(47)58)60(42-21-14-18-39(34-42)40-28-33-56-50(35-40)48-23-11-13-27-55(48)61-56)44-30-32-49-54(37-44)59(3,41-19-8-5-9-20-41)52-26-15-24-45(57(49)52)38-16-6-4-7-17-38/h4-9,11-21,23-37H,10,22H2,1-3H3
InChIKeyLCCSSICUOWADPG-UHFFFAOYSA-N
MW784.02 g/mol
LogP16.12
Rot. Bonds6

About N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine

N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine (PubChem CID 167218680) has the molecular formula C59H45NO and a molecular weight of 784.02 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
PubChem CID167218680
Molecular FormulaC59H45NO
Molecular Weight784.02 g/mol
Exact Mass783.35
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21
InChIInChI=1S/C59H45NO/c1-58(2)51-25-12-10-22-46(51)47-31-29-43(36-53(47)58)60(42-21-14-18-39(34-42)40-28-33-56-50(35-40)48-23-11-13-27-55(48)61-56)44-30-32-49-54(37-44)59(3,41-19-8-5-9-20-41)52-26-15-24-45(57(49)52)38-16-6-4-7-17-38/h4-9,11-21,23-37H,10,22H2,1-3H3
InChIKeyLCCSSICUOWADPG-UHFFFAOYSA-N
XLogP16.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.02
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-7,8-dihydrofluoren-2-amine
CID 126548375
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028
N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
CID 118214579
N-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine (CID 167218680) is N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine is CC1(C)C2=C(CCC=C2)c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine?
The InChIKey is LCCSSICUOWADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NO/c1-58(2)51-25-12-10-22-46(51)47-31-29-43(36-53(47)58)60(42-21-14-18-39(34-42)40-28-33-56-50(35-40)48-23-11-13-27-55(48)61-56)44-30-32-49-54(37-44)59(3,41-19-8-5-9-20-41)52-26-15-24-45(57(49)52)38-16-6-4-7-17-38/h4-9,11-21,23-37H,10,22H2,1-3H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine?
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine has a molecular weight of 784.02 g/mol, XLogP of 16.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).