N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine

C60H43NO — CID 166777300

IUPACN-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
SMILESCC1C=CC2=C(C1)C1(c3cc(-c4ccc(N(c5ccc6ccccc6c5)C5CC=Cc6c5oc5c(-c7ccccc7)cccc65)cc4)ccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C60H43NO/c1-38-25-33-49-50-34-29-43(37-56(50)60(55(49)35-38)53-22-9-7-17-47(53)48-18-8-10-23-54(48)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-52-51-20-11-19-46(58(51)62-59(52)57)41-14-3-2-4-15-41/h2-23,25-34,36-38,57H,24,35H2,1H3
InChIKeyXPADSECXPXYNDA-UHFFFAOYSA-N
MW794.01 g/mol
LogP15.89
Rot. Bonds5

About N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine

N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine (PubChem CID 166777300) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
PubChem CID166777300
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
SMILESCC1C=CC2=C(C1)C1(c3cc(-c4ccc(N(c5ccc6ccccc6c5)C5CC=Cc6c5oc5c(-c7ccccc7)cccc65)cc4)ccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C60H43NO/c1-38-25-33-49-50-34-29-43(37-56(50)60(55(49)35-38)53-22-9-7-17-47(53)48-18-8-10-23-54(48)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-52-51-20-11-19-46(58(51)62-59(52)57)41-14-3-2-4-15-41/h2-23,25-34,36-38,57H,24,35H2,1H3
InChIKeyXPADSECXPXYNDA-UHFFFAOYSA-N
XLogP15.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
CID 155066053
6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 146332510
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine
CID 176652213
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
CID 139541046
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine
CID 158266678
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
4-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-2-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-2-amine
CID 157416955
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]methyl]aniline
CID 167236002

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine?
The IUPAC name of N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine (CID 166777300) is N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine.
What is the SMILES notation for N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine?
The canonical SMILES for N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine is CC1C=CC2=C(C1)C1(c3cc(-c4ccc(N(c5ccc6ccccc6c5)C5CC=Cc6c5oc5c(-c7ccccc7)cccc65)cc4)ccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine?
The InChIKey is XPADSECXPXYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-38-25-33-49-50-34-29-43(37-56(50)60(55(49)35-38)53-22-9-7-17-47(53)48-18-8-10-23-54(48)60)40-26-30-44(31-27-40)61(45-32-28-39-13-5-6-16-42(39)36-45)57-24-12-21-52-51-20-11-19-46(58(51)62-59(52)57)41-14-3-2-4-15-41/h2-23,25-34,36-38,57H,24,35H2,1H3.
What are the key properties of N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine?
N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine has a molecular weight of 794.01 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 166777300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).