N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine

C64H47N — CID 135193258

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)56-28-15-12-26-53(56)54-42-39-48(43-59(54)63)46-37-40-51(41-38-46)65(60-31-17-14-25-52(60)47-35-33-45(34-36-47)44-19-6-3-7-20-44)61-32-18-30-58-62(61)55-27-13-16-29-57(55)64(58,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-43H,1-2H3
InChIKeyFGCCLQRSIBIMJD-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.83
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 135193258) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID135193258
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)56-28-15-12-26-53(56)54-42-39-48(43-59(54)63)46-37-40-51(41-38-46)65(60-31-17-14-25-52(60)47-35-33-45(34-36-47)44-19-6-3-7-20-44)61-32-18-30-58-62(61)55-27-13-16-29-57(55)64(58,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-43H,1-2H3
InChIKeyFGCCLQRSIBIMJD-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158254374
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 135193258) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is FGCCLQRSIBIMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-63(2)56-28-15-12-26-53(56)54-42-39-48(43-59(54)63)46-37-40-51(41-38-46)65(60-31-17-14-25-52(60)47-35-33-45(34-36-47)44-19-6-3-7-20-44)61-32-18-30-58-62(61)55-27-13-16-29-57(55)64(58,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-43H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 830.09 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 135193258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).