N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine

C62H45NO — CID 174290927

IUPACN-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cccc21
InChIInChI=1S/C62H45NO/c1-61(2)52-30-14-12-27-50(52)59-54(61)32-18-34-57(59)63(56-33-16-13-26-47(56)48-28-17-29-49-51-37-40-19-9-10-20-41(40)38-58(51)64-60(48)49)44-35-36-46-45-25-11-15-31-53(45)62(55(46)39-44,42-21-5-3-6-22-42)43-23-7-4-8-24-43/h3-11,13-26,28-39H,12,27H2,1-2H3
InChIKeyQPAFRSUFOXIFOG-UHFFFAOYSA-N
MW820.05 g/mol
LogP16.63
Rot. Bonds6

About N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine

N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 174290927) has the molecular formula C62H45NO and a molecular weight of 820.05 g/mol. Its IUPAC name is N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID174290927
Molecular FormulaC62H45NO
Molecular Weight820.05 g/mol
Exact Mass819.35
IUPAC NameN-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cccc21
InChIInChI=1S/C62H45NO/c1-61(2)52-30-14-12-27-50(52)59-54(61)32-18-34-57(59)63(56-33-16-13-26-47(56)48-28-17-29-49-51-37-40-19-9-10-20-41(40)38-58(51)64-60(48)49)44-35-36-46-45-25-11-15-31-53(45)62(55(46)39-44,42-21-5-3-6-22-42)43-23-7-4-8-24-43/h3-11,13-26,28-39H,12,27H2,1-2H3
InChIKeyQPAFRSUFOXIFOG-UHFFFAOYSA-N
XLogP16.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
CID 138489071
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 174290083
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
CID 170675216
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
CID 142481057
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-18-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050055
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423752
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-8-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 170674938

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 174290927) is N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine is CC1(C)C2=C(CCC=C2)c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is QPAFRSUFOXIFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO/c1-61(2)52-30-14-12-27-50(52)59-54(61)32-18-34-57(59)63(56-33-16-13-26-47(56)48-28-17-29-49-51-37-40-19-9-10-20-41(40)38-58(51)64-60(48)49)44-35-36-46-45-25-11-15-31-53(45)62(55(46)39-44,42-21-5-3-6-22-42)43-23-7-4-8-24-43/h3-11,13-26,28-39H,12,27H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 820.05 g/mol, XLogP of 16.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 174290927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).