2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine

C55H40N2 — CID 165158463

IUPAC2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c2-3)cc1
InChIInChI=1S/C55H40N2/c1-8-22-41(23-9-1)42-36-37-50-51(38-42)55(43-24-10-2-11-25-43,44-26-12-3-13-27-44)52-39-49(56(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-53(54(50)52)57(47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-40H
InChIKeyXLAUGUXGGIUFLP-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.66
Rot. Bonds9

About 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine

2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine (PubChem CID 165158463) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine
PubChem CID165158463
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c2-3)cc1
InChIInChI=1S/C55H40N2/c1-8-22-41(23-9-1)42-36-37-50-51(38-42)55(43-24-10-2-11-25-43,44-26-12-3-13-27-44)52-39-49(56(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-53(54(50)52)57(47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-40H
InChIKeyXLAUGUXGGIUFLP-UHFFFAOYSA-N
XLogP14.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 163289480
N,5,7,9-tetraphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 163478747
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
CID 118004667
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine (CID 165158463) is 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c2-3)cc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine?
The InChIKey is XLAUGUXGGIUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-8-22-41(23-9-1)42-36-37-50-51(38-42)55(43-24-10-2-11-25-43,44-26-12-3-13-27-44)52-39-49(56(45-28-14-4-15-29-45)46-30-16-5-17-31-46)40-53(54(50)52)57(47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-40H.
What are the key properties of 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine?
2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine has a molecular weight of 728.94 g/mol, XLogP of 14.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine is sourced from PubChem (CID 165158463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).