5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine

C58H43N3 — CID 139380071

IUPAC5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C58H43N3/c1-57(2)51-25-13-9-21-45(51)49-31-29-38(36-55(49)57)59-40-33-41(35-44(34-40)61(42-17-5-3-6-18-42)43-19-7-4-8-20-43)60-39-30-32-50-48-24-12-16-28-54(48)58(56(50)37-39)52-26-14-10-22-46(52)47-23-11-15-27-53(47)58/h3-37,59-60H,1-2H3
InChIKeyFULVGZGHWXFQOG-UHFFFAOYSA-N
MW782.00 g/mol
LogP15.29
Rot. Bonds7

About 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine

5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine (PubChem CID 139380071) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
PubChem CID139380071
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C58H43N3/c1-57(2)51-25-13-9-21-45(51)49-31-29-38(36-55(49)57)59-40-33-41(35-44(34-40)61(42-17-5-3-6-18-42)43-19-7-4-8-20-43)60-39-30-32-50-48-24-12-16-28-54(48)58(56(50)37-39)52-26-14-10-22-46(52)47-23-11-15-27-53(47)58/h3-37,59-60H,1-2H3
InChIKeyFULVGZGHWXFQOG-UHFFFAOYSA-N
XLogP15.29
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 129194324
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
1-bromo-4-cyclohexylbenzene;N-(4-cyclohexylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 165097884
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine?
The IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine (CID 139380071) is 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine.
What is the SMILES notation for 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine?
The canonical SMILES for 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine is CC1(C)c2ccccc2-c2ccc(Nc3cc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc(N(c4ccccc4)c4ccccc4)c3)cc21.
What is the InChIKey of 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine?
The InChIKey is FULVGZGHWXFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N3/c1-57(2)51-25-13-9-21-45(51)49-31-29-38(36-55(49)57)59-40-33-41(35-44(34-40)61(42-17-5-3-6-18-42)43-19-7-4-8-20-43)60-39-30-32-50-48-24-12-16-28-54(48)58(56(50)37-39)52-26-14-10-22-46(52)47-23-11-15-27-53(47)58/h3-37,59-60H,1-2H3.
What are the key properties of 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine?
5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine has a molecular weight of 782.00 g/mol, XLogP of 15.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine is sourced from PubChem (CID 139380071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).