N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C61H51N — CID 144660337

IUPACN-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccccc1-c1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c(C)c1C
InChIInChI=1S/C61H51N/c1-42-19-15-16-26-53(42)54-39-40-57(44(3)43(54)2)60(4,5)47-31-35-51(36-32-47)62(50-33-29-46(30-34-50)45-20-9-6-10-21-45)52-37-38-56-55-27-17-18-28-58(55)61(59(56)41-52,48-22-11-7-12-23-48)49-24-13-8-14-25-49/h6-41H,1-5H3
InChIKeyJATYBPXXFPBLCY-UHFFFAOYSA-N
MW798.09 g/mol
LogP16.10
Rot. Bonds9

About N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 144660337) has the molecular formula C61H51N and a molecular weight of 798.09 g/mol. Its IUPAC name is N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID144660337
Molecular FormulaC61H51N
Molecular Weight798.09 g/mol
Exact Mass797.40
IUPAC NameN-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccccc1-c1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c(C)c1C
InChIInChI=1S/C61H51N/c1-42-19-15-16-26-53(42)54-39-40-57(44(3)43(54)2)60(4,5)47-31-35-51(36-32-47)62(50-33-29-46(30-34-50)45-20-9-6-10-21-45)52-37-38-56-55-27-17-18-28-58(55)61(59(56)41-52,48-22-11-7-12-23-48)49-24-13-8-14-25-49/h6-41H,1-5H3
InChIKeyJATYBPXXFPBLCY-UHFFFAOYSA-N
XLogP16.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.09
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118298346
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 144660337) is N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccccc1-c1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c(C)c1C.
What is the InChIKey of N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is JATYBPXXFPBLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N/c1-42-19-15-16-26-53(42)54-39-40-57(44(3)43(54)2)60(4,5)47-31-35-51(36-32-47)62(50-33-29-46(30-34-50)45-20-9-6-10-21-45)52-37-38-56-55-27-17-18-28-58(55)61(59(56)41-52,48-22-11-7-12-23-48)49-24-13-8-14-25-49/h6-41H,1-5H3.
What are the key properties of N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 798.09 g/mol, XLogP of 16.10, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2,3-dimethyl-4-(2-methylphenyl)phenyl]propan-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144660337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).