dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

C65H51NO — CID 142480603

IUPACdibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC.CN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C51H37N.C12H8O.C2H6/c1-52(40-31-29-37(30-32-40)36-17-5-2-6-18-36)41-33-34-43-42-23-11-12-24-44(42)51(49(43)35-41)47-27-15-13-25-45(47)50(38-19-7-3-8-20-38,39-21-9-4-10-22-39)46-26-14-16-28-48(46)51;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2-35H,1H3;1-8H;1-2H3
InChIKeyWTLXYDIAXAMEMS-UHFFFAOYSA-N
MW862.13 g/mol
LogP16.79
Rot. Bonds5

About dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142480603) has the molecular formula C65H51NO and a molecular weight of 862.13 g/mol. Its IUPAC name is dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound Namedibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID142480603
Molecular FormulaC65H51NO
Molecular Weight862.13 g/mol
Exact Mass861.40
IUPAC Namedibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC.CN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C51H37N.C12H8O.C2H6/c1-52(40-31-29-37(30-32-40)36-17-5-2-6-18-36)41-33-34-43-42-23-11-12-24-44(42)51(49(43)35-41)47-27-15-13-25-45(47)50(38-19-7-3-8-20-38,39-21-9-4-10-22-39)46-26-14-16-28-48(46)51;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2-35H,1H3;1-8H;1-2H3
InChIKeyWTLXYDIAXAMEMS-UHFFFAOYSA-N
XLogP16.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (CID 142480603) is dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is CC.CN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is WTLXYDIAXAMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N.C12H8O.C2H6/c1-52(40-31-29-37(30-32-40)36-17-5-2-6-18-36)41-33-34-43-42-23-11-12-24-44(42)51(49(43)35-41)47-27-15-13-25-45(47)50(38-19-7-3-8-20-38,39-21-9-4-10-22-39)46-26-14-16-28-48(46)51;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h2-35H,1H3;1-8H;1-2H3.
What are the key properties of dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 862.13 g/mol, XLogP of 16.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142480603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).