N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

C58H43N — CID 142481385

IUPACN-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)51-26-14-16-28-53(51)58(54-29-17-15-27-52(54)57)50-25-13-12-24-47(50)48-36-35-46(39-55(48)58)59(45-33-30-42(31-34-45)40-18-6-3-7-19-40)56-37-32-44(41-20-8-4-9-21-41)38-49(56)43-22-10-5-11-23-43/h3-39H,1-2H3
InChIKeyYZRNETJFGFZASQ-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.16
Rot. Bonds6

About N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142481385) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID142481385
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)51-26-14-16-28-53(51)58(54-29-17-15-27-52(54)57)50-25-13-12-24-47(50)48-36-35-46(39-55(48)58)59(45-33-30-42(31-34-45)40-18-6-3-7-19-40)56-37-32-44(41-20-8-4-9-21-41)38-49(56)43-22-10-5-11-23-43/h3-39H,1-2H3
InChIKeyYZRNETJFGFZASQ-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158711981
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (CID 142481385) is N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc32)c2ccccc21.
What is the InChIKey of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is YZRNETJFGFZASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)51-26-14-16-28-53(51)58(54-29-17-15-27-52(54)57)50-25-13-12-24-47(50)48-36-35-46(39-55(48)58)59(45-33-30-42(31-34-45)40-18-6-3-7-19-40)56-37-32-44(41-20-8-4-9-21-41)38-49(56)43-22-10-5-11-23-43/h3-39H,1-2H3.
What are the key properties of N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 753.99 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142481385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).