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

C57H47N — CID 170215738

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C57H47N/c1-55(2)48-21-10-7-15-42(48)45-34-29-38(35-51(45)55)36-25-30-39(31-26-36)58(52-24-14-20-47-44-17-9-12-23-50(44)57(5,6)54(47)52)40-32-27-37(28-33-40)41-18-13-19-46-43-16-8-11-22-49(43)56(3,4)53(41)46/h7-35H,1-6H3
InChIKeyFUXKUFYWMJJIBH-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.41
Rot. Bonds5

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

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine (PubChem CID 170215738) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
PubChem CID170215738
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C57H47N/c1-55(2)48-21-10-7-15-42(48)45-34-29-38(35-51(45)55)36-25-30-39(31-26-36)58(52-24-14-20-47-44-17-9-12-23-50(44)57(5,6)54(47)52)40-32-27-37(28-33-40)41-18-13-19-46-43-16-8-11-22-49(43)56(3,4)53(41)46/h7-35H,1-6H3
InChIKeyFUXKUFYWMJJIBH-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

2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
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-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline
CID 170215764
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine (CID 170215738) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine?
The InChIKey is FUXKUFYWMJJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)48-21-10-7-15-42(48)45-34-29-38(35-51(45)55)36-25-30-39(31-26-36)58(52-24-14-20-47-44-17-9-12-23-50(44)57(5,6)54(47)52)40-32-27-37(28-33-40)41-18-13-19-46-43-16-8-11-22-49(43)56(3,4)53(41)46/h7-35H,1-6H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 170215738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).