N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine

C52H35NO2 — CID 163804451

IUPACN-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C52H35NO2/c1-51(2)42-17-7-9-19-44(42)52(45-20-10-8-18-43(45)51)41-16-6-3-13-35(41)36-26-23-34(31-46(36)52)53(32-24-27-49-39(29-32)37-14-4-11-21-47(37)54-49)33-25-28-50-40(30-33)38-15-5-12-22-48(38)55-50/h3-31H,1-2H3
InChIKeyNHUHKNBUBKBRPQ-UHFFFAOYSA-N
MW705.86 g/mol
LogP13.96
Rot. Bonds3

About N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine

N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine (PubChem CID 163804451) has the molecular formula C52H35NO2 and a molecular weight of 705.86 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
PubChem CID163804451
Molecular FormulaC52H35NO2
Molecular Weight705.86 g/mol
Exact Mass705.27
IUPAC NameN-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C52H35NO2/c1-51(2)42-17-7-9-19-44(42)52(45-20-10-8-18-43(45)51)41-16-6-3-13-35(41)36-26-23-34(31-46(36)52)53(32-24-27-49-39(29-32)37-14-4-11-21-47(37)54-49)33-25-28-50-40(30-33)38-15-5-12-22-48(38)55-50/h3-31H,1-2H3
InChIKeyNHUHKNBUBKBRPQ-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
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
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-(3,5-diphenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 168771577
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050244
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine (CID 163804451) is N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc32)c2ccccc21.
What is the InChIKey of N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine?
The InChIKey is NHUHKNBUBKBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2/c1-51(2)42-17-7-9-19-44(42)52(45-20-10-8-18-43(45)51)41-16-6-3-13-35(41)36-26-23-34(31-46(36)52)53(32-24-27-49-39(29-32)37-14-4-11-21-47(37)54-49)33-25-28-50-40(30-33)38-15-5-12-22-48(38)55-50/h3-31H,1-2H3.
What are the key properties of N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine has a molecular weight of 705.86 g/mol, XLogP of 13.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine is sourced from PubChem (CID 163804451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).