9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

C64H45N — CID 130325443

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H45N/c1-63(2)55-27-13-9-22-48(55)51-38-37-47(41-60(51)63)65(46-35-32-44(33-36-46)42-18-5-3-6-19-42)61-39-34-45(43-20-7-4-8-21-43)40-54(61)52-26-17-31-59-62(52)53-25-12-16-30-58(53)64(59)56-28-14-10-23-49(56)50-24-11-15-29-57(50)64/h3-41H,1-2H3
InChIKeyVXUYTGXWJMCQTB-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.81
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (PubChem CID 130325443) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
PubChem CID130325443
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H45N/c1-63(2)55-27-13-9-22-48(55)51-38-37-47(41-60(51)63)65(46-35-32-44(33-36-46)42-18-5-3-6-19-42)61-39-34-45(43-20-7-4-8-21-43)40-54(61)52-26-17-31-59-62(52)53-25-12-16-30-58(53)64(59)56-28-14-10-23-49(56)50-24-11-15-29-57(50)64/h3-41H,1-2H3
InChIKeyVXUYTGXWJMCQTB-UHFFFAOYSA-N
XLogP16.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
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
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (CID 130325443) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The InChIKey is VXUYTGXWJMCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-63(2)55-27-13-9-22-48(55)51-38-37-47(41-60(51)63)65(46-35-32-44(33-36-46)42-18-5-3-6-19-42)61-39-34-45(43-20-7-4-8-21-43)40-54(61)52-26-17-31-59-62(52)53-25-12-16-30-58(53)64(59)56-28-14-10-23-49(56)50-24-11-15-29-57(50)64/h3-41H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine has a molecular weight of 828.07 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 130325443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).