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

C57H47N — CID 170143467

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)48-25-12-8-20-41(48)46-35-39(30-32-50(46)55)58(38-18-15-17-36(33-38)37-29-31-42-40-19-7-11-24-47(40)57(5,6)52(42)34-37)53-28-14-10-21-43(53)44-23-16-27-51-54(44)45-22-9-13-26-49(45)56(51,3)4/h7-35H,1-6H3
InChIKeyFPQBUTTXCZYTTC-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.41
Rot. Bonds5

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 170143467) 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-2-yl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID170143467
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)48-25-12-8-20-41(48)46-35-39(30-32-50(46)55)58(38-18-15-17-36(33-38)37-29-31-42-40-19-7-11-24-47(40)57(5,6)52(42)34-37)53-28-14-10-21-43(53)44-23-16-27-51-54(44)45-22-9-13-26-49(45)56(51,3)4/h7-35H,1-6H3
InChIKeyFPQBUTTXCZYTTC-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-4-amine
CID 170143527
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
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142520
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 170142634
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine (CID 170143467) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-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-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(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-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is FPQBUTTXCZYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)48-25-12-8-20-41(48)46-35-39(30-32-50(46)55)58(38-18-15-17-36(33-38)37-29-31-42-40-19-7-11-24-47(40)57(5,6)52(42)34-37)53-28-14-10-21-43(53)44-23-16-27-51-54(44)45-22-9-13-26-49(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-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-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-2-yl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 170143467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).