N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine

C65H47N — CID 167176307

IUPACN-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C65H47N/c1-63(2)58-35-18-19-36-60(58)65(56-33-16-13-29-51(56)52-30-14-17-34-57(52)65)62-43-50(38-40-59(62)63)66(48-28-20-23-45(41-48)44-21-6-3-7-22-44)49-37-39-54-53-31-12-15-32-55(53)64(61(54)42-49,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-43H,1-2H3
InChIKeyWSHCOXMWFBYTNT-UHFFFAOYSA-N
MW842.10 g/mol
LogP16.19
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine (PubChem CID 167176307) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
PubChem CID167176307
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C65H47N/c1-63(2)58-35-18-19-36-60(58)65(56-33-16-13-29-51(56)52-30-14-17-34-57(52)65)62-43-50(38-40-59(62)63)66(48-28-20-23-45(41-48)44-21-6-3-7-22-44)49-37-39-54-53-31-12-15-32-55(53)64(61(54)42-49,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-43H,1-2H3
InChIKeyWSHCOXMWFBYTNT-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
CID 167176882
CID 167176882
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-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 161087354

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine (CID 167176307) is N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine?
The InChIKey is WSHCOXMWFBYTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-63(2)58-35-18-19-36-60(58)65(56-33-16-13-29-51(56)52-30-14-17-34-57(52)65)62-43-50(38-40-59(62)63)66(48-28-20-23-45(41-48)44-21-6-3-7-22-44)49-37-39-54-53-31-12-15-32-55(53)64(61(54)42-49,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-43H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine has a molecular weight of 842.10 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine is sourced from PubChem (CID 167176307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).