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

C59H51N — CID 170143663

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C59H51N/c1-7-59(8-2)51-28-15-10-20-43(51)48-37-40(35-36-52(48)59)60(39-33-31-38(32-34-39)41-23-17-25-46-42-19-9-13-26-49(42)58(5,6)56(41)46)54-30-16-12-21-44(54)45-24-18-29-53-55(45)47-22-11-14-27-50(47)57(53,3)4/h9-37H,7-8H2,1-6H3
InChIKeyYQDGBSCDSRPKJH-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.19
Rot. Bonds7

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine (PubChem CID 170143663) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
PubChem CID170143663
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C59H51N/c1-7-59(8-2)51-28-15-10-20-43(51)48-37-40(35-36-52(48)59)60(39-33-31-38(32-34-39)41-23-17-25-46-42-19-9-13-26-49(42)58(5,6)56(41)46)54-30-16-12-21-44(54)45-24-18-29-53-55(45)47-22-11-14-27-50(47)57(53,3)4/h9-37H,7-8H2,1-6H3
InChIKeyYQDGBSCDSRPKJH-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.19
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-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
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-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
CID 170143764
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
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
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170140987
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-4-yl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 170142634
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-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140988

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine (CID 170143663) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine is CCC1(CC)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine?
The InChIKey is YQDGBSCDSRPKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-7-59(8-2)51-28-15-10-20-43(51)48-37-40(35-36-52(48)59)60(39-33-31-38(32-34-39)41-23-17-25-46-42-19-9-13-26-49(42)58(5,6)56(41)46)54-30-16-12-21-44(54)45-24-18-29-53-55(45)47-22-11-14-27-50(47)57(53,3)4/h9-37H,7-8H2,1-6H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine has a molecular weight of 774.06 g/mol, XLogP of 16.19, 7 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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diethylfluoren-3-amine is sourced from PubChem (CID 170143663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).