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

C58H44N2 — CID 139568306

IUPACN-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)49-23-12-8-21-47(49)56-50(57)24-15-27-55(56)59(39-32-33-43-42-17-7-11-22-48(42)58(3,4)51(43)36-39)38-30-28-37(29-31-38)40-34-35-54(44-18-6-5-16-41(40)44)60-52-25-13-9-19-45(52)46-20-10-14-26-53(46)60/h5-36H,1-4H3
InChIKeyRVWHCKDETYKNDL-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

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

N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 139568306) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID139568306
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)49-23-12-8-21-47(49)56-50(57)24-15-27-55(56)59(39-32-33-43-42-17-7-11-22-48(42)58(3,4)51(43)36-39)38-30-28-37(29-31-38)40-34-35-54(44-18-6-5-16-41(40)44)60-52-25-13-9-19-45(52)46-20-10-14-26-53(46)60/h5-36H,1-4H3
InChIKeyRVWHCKDETYKNDL-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-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
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-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine
CID 166002864
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
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-[2-(4-carbazol-9-yl-9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 176956346
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
CID 159602071
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 139568306) is N-[4-(4-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-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is RVWHCKDETYKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)49-23-12-8-21-47(49)56-50(57)24-15-27-55(56)59(39-32-33-43-42-17-7-11-22-48(42)58(3,4)51(43)36-39)38-30-28-37(29-31-38)40-34-35-54(44-18-6-5-16-41(40)44)60-52-25-13-9-19-45(52)46-20-10-14-26-53(46)60/h5-36H,1-4H3.
What are the key properties of N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(4-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-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 139568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).