4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

C58H42N2O — CID 138667387

IUPAC4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)c2ccccc21
InChIInChI=1S/C58H42N2O/c1-57(2)51-24-12-14-26-53(51)58(54-27-15-13-25-52(54)57)49-23-11-9-21-45(49)47-37-43(33-35-50(47)58)60(44-34-36-56-48(38-44)46-22-10-16-28-55(46)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3
InChIKeyOIFFTJUMAWVHNB-UHFFFAOYSA-N
MW782.99 g/mol
LogP15.53
Rot. Bonds6

About 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 138667387) has the molecular formula C58H42N2O and a molecular weight of 782.99 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID138667387
Molecular FormulaC58H42N2O
Molecular Weight782.99 g/mol
Exact Mass782.33
IUPAC Name4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)c2ccccc21
InChIInChI=1S/C58H42N2O/c1-57(2)51-24-12-14-26-53(51)58(54-27-15-13-25-52(54)57)49-23-11-9-21-45(49)47-37-43(33-35-50(47)58)60(44-34-36-56-48(38-44)46-22-10-16-28-55(46)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3
InChIKeyOIFFTJUMAWVHNB-UHFFFAOYSA-N
XLogP15.53
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463065
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N-phenyldibenzofuran-2-amine
CID 156554384
5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122552103

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 138667387) is 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)ccc32)c2ccccc21.
What is the InChIKey of 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is OIFFTJUMAWVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O/c1-57(2)51-24-12-14-26-53(51)58(54-27-15-13-25-52(54)57)49-23-11-9-21-45(49)47-37-43(33-35-50(47)58)60(44-34-36-56-48(38-44)46-22-10-16-28-55(46)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3.
What are the key properties of 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 782.99 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 138667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).