N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

C58H44N2 — CID 139567856

IUPACN-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-n6c7ccccc7c7ccccc76)cccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)49-24-10-6-19-47(49)56-50(57)25-15-29-55(56)59(39-34-35-43-42-16-5-9-23-48(42)58(3,4)51(43)36-39)38-32-30-37(31-33-38)40-20-13-22-44-41(40)21-14-28-54(44)60-52-26-11-7-17-45(52)46-18-8-12-27-53(46)60/h5-36H,1-4H3
InChIKeyFNYQYVMNJOFHAS-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

About N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 139567856) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID139567856
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-n6c7ccccc7c7ccccc76)cccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)49-24-10-6-19-47(49)56-50(57)25-15-29-55(56)59(39-34-35-43-42-16-5-9-23-48(42)58(3,4)51(43)36-39)38-32-30-37(31-33-38)40-20-13-22-44-41(40)21-14-28-54(44)60-52-26-11-7-17-45(52)46-18-8-12-27-53(46)60/h5-36H,1-4H3
InChIKeyFNYQYVMNJOFHAS-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568306
N-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568301
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168602
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
CID 159602071
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[2-(4-carbazol-9-yl-9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 176956346
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166356
N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 118410898
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 139567856) is N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-n6c7ccccc7c7ccccc76)cccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is FNYQYVMNJOFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)49-24-10-6-19-47(49)56-50(57)25-15-29-55(56)59(39-34-35-43-42-16-5-9-23-48(42)58(3,4)51(43)36-39)38-32-30-37(31-33-38)40-20-13-22-44-41(40)21-14-28-54(44)60-52-26-11-7-17-45(52)46-18-8-12-27-53(46)60/h5-36H,1-4H3.
What are the key properties of N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 769.00 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 139567856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).