N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C62H49N — CID 170216915

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C62H49N/c1-60(2)52-29-14-9-23-44(52)47-36-34-40(38-55(47)60)43-22-12-17-32-57(43)63(42-35-37-48-45-24-11-16-31-54(45)62(5,56(48)39-42)41-20-7-6-8-21-41)58-33-18-13-26-49(58)51-28-19-27-50-46-25-10-15-30-53(46)61(3,4)59(50)51/h6-39H,1-5H3
InChIKeyHATWFGUGYORUBK-UHFFFAOYSA-N
MW808.08 g/mol
LogP16.44
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 170216915) has the molecular formula C62H49N and a molecular weight of 808.08 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID170216915
Molecular FormulaC62H49N
Molecular Weight808.08 g/mol
Exact Mass807.39
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C62H49N/c1-60(2)52-29-14-9-23-44(52)47-36-34-40(38-55(47)60)43-22-12-17-32-57(43)63(42-35-37-48-45-24-11-16-31-54(45)62(5,56(48)39-42)41-20-7-6-8-21-41)58-33-18-13-26-49(58)51-28-19-27-50-46-25-10-15-30-53(46)61(3,4)59(50)51/h6-39H,1-5H3
InChIKeyHATWFGUGYORUBK-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.08
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170216920
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-1-amine
CID 170216276
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216343
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217046
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 170216915) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is HATWFGUGYORUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N/c1-60(2)52-29-14-9-23-44(52)47-36-34-40(38-55(47)60)43-22-12-17-32-57(43)63(42-35-37-48-45-24-11-16-31-54(45)62(5,56(48)39-42)41-20-7-6-8-21-41)58-33-18-13-26-49(58)51-28-19-27-50-46-25-10-15-30-53(46)61(3,4)59(50)51/h6-39H,1-5H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 808.08 g/mol, XLogP of 16.44, 6 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-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 170216915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).