N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine

C57H47N — CID 170143480

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)47-27-11-8-21-41(47)46-35-38(32-33-50(46)55)58(37-19-15-18-36(34-37)39-24-16-26-44-40-20-7-12-28-48(40)57(5,6)54(39)44)52-31-14-10-22-42(52)43-25-17-30-51-53(43)45-23-9-13-29-49(45)56(51,3)4/h7-35H,1-6H3
InChIKeyRRWNCQXRESDXBM-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.41
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 170143480) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID170143480
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)47-27-11-8-21-41(47)46-35-38(32-33-50(46)55)58(37-19-15-18-36(34-37)39-24-16-26-44-40-20-7-12-28-48(40)57(5,6)54(39)44)52-31-14-10-22-42(52)43-25-17-30-51-53(43)45-23-9-13-29-49(45)56(51,3)4/h7-35H,1-6H3
InChIKeyRRWNCQXRESDXBM-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
CID 170143663
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N,N-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-4-amine;3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline;3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 163722674
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170143772

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine (CID 170143480) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is RRWNCQXRESDXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)47-27-11-8-21-41(47)46-35-38(32-33-50(46)55)58(37-19-15-18-36(34-37)39-24-16-26-44-40-20-7-12-28-48(40)57(5,6)54(39)44)52-31-14-10-22-42(52)43-25-17-30-51-53(43)45-23-9-13-29-49(45)56(51,3)4/h7-35H,1-6H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 746.01 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 170143480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).