N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine

C58H44N2 — CID 139568211

IUPACN-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3)ccc21
InChIInChI=1S/C58H44N2/c1-57(2)49-24-12-7-20-43(49)47-35-39(29-31-51(47)57)59(40-30-32-52-48(36-40)44-21-8-13-25-50(44)58(52,3)4)53-26-14-9-19-42(53)38-33-37-17-5-6-18-41(37)56(34-38)60-54-27-15-10-22-45(54)46-23-11-16-28-55(46)60/h5-36H,1-4H3
InChIKeyHWTURPBDXOMXIJ-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

About N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine

N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 139568211) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
PubChem CID139568211
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3)ccc21
InChIInChI=1S/C58H44N2/c1-57(2)49-24-12-7-20-43(49)47-35-39(29-31-51(47)57)59(40-30-32-52-48(36-40)44-21-8-13-25-50(44)58(52,3)4)53-26-14-9-19-42(53)38-33-37-17-5-6-18-41(37)56(34-38)60-54-27-15-10-22-45(54)46-23-11-16-28-55(46)60/h5-36H,1-4H3
InChIKeyHWTURPBDXOMXIJ-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-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
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-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 134380558
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
CID 159602071
6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90125929
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139567875
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210
N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 162779873
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
CID 170139071

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine (CID 139568211) is N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3)ccc21.
What is the InChIKey of N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is HWTURPBDXOMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)49-24-12-7-20-43(49)47-35-39(29-31-51(47)57)59(40-30-32-52-48(36-40)44-21-8-13-25-50(44)58(52,3)4)53-26-14-9-19-42(53)38-33-37-17-5-6-18-41(37)56(34-38)60-54-27-15-10-22-45(54)46-23-11-16-28-55(46)60/h5-36H,1-4H3.
What are the key properties of N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine?
N-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-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-[2-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 139568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).