9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine

C64H45N — CID 130379433

IUPAC9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H45N/c1-63(2)56-31-14-9-25-50(56)54-37-36-46(41-60(54)63)65(61-35-18-13-24-48(61)43-22-7-4-8-23-43)47-39-44(42-20-5-3-6-21-42)38-45(40-47)49-29-19-30-55-53-28-12-17-34-59(53)64(62(49)55)57-32-15-10-26-51(57)52-27-11-16-33-58(52)64/h3-41H,1-2H3
InChIKeyTVYHPFPHSDVOFF-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.81
Rot. Bonds6

About 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine (PubChem CID 130379433) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
PubChem CID130379433
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC Name9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H45N/c1-63(2)56-31-14-9-25-50(56)54-37-36-46(41-60(54)63)65(61-35-18-13-24-48(61)43-22-7-4-8-23-43)47-39-44(42-20-5-3-6-21-42)38-45(40-47)49-29-19-30-55-53-28-12-17-34-59(53)64(62(49)55)57-32-15-10-26-51(57)52-27-11-16-33-58(52)64/h3-41H,1-2H3
InChIKeyTVYHPFPHSDVOFF-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-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-[3-[1'-[(1Z)-buta-1,3-dienyl]-2'-methylspiro[fluorene-9,3'-indene]-4'-yl]-5-phenylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 154972745
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-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;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-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159146221
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine (CID 130379433) is 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine?
The InChIKey is TVYHPFPHSDVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-63(2)56-31-14-9-25-50(56)54-37-36-46(41-60(54)63)65(61-35-18-13-24-48(61)43-22-7-4-8-23-43)47-39-44(42-20-5-3-6-21-42)38-45(40-47)49-29-19-30-55-53-28-12-17-34-59(53)64(62(49)55)57-32-15-10-26-51(57)52-27-11-16-33-58(52)64/h3-41H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-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-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 130379433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).