5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine

C62H44N2 — CID 168775186

IUPAC5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C62H44N2/c1-61(2)54-31-17-14-26-46(54)49-36-35-45(38-57(49)61)64(43-24-10-5-11-25-43)59-40-53-48-28-16-19-33-56(48)62(60(53)52-30-13-12-29-51(52)59)55-32-18-15-27-47(55)50-37-34-44(39-58(50)62)63(41-20-6-3-7-21-41)42-22-8-4-9-23-42/h3-40H,1-2H3
InChIKeyCZYXTLYNTGNEBR-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.43
Rot. Bonds6

About 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine

5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine (PubChem CID 168775186) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine.

Molecular Properties

Compound Name5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
PubChem CID168775186
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)cc21
InChIInChI=1S/C62H44N2/c1-61(2)54-31-17-14-26-46(54)49-36-35-45(38-57(49)61)64(43-24-10-5-11-25-43)59-40-53-48-28-16-19-33-56(48)62(60(53)52-30-13-12-29-51(52)59)55-32-18-15-27-47(55)50-37-34-44(39-58(50)62)63(41-20-6-3-7-21-41)42-22-8-4-9-23-42/h3-40H,1-2H3
InChIKeyCZYXTLYNTGNEBR-UHFFFAOYSA-N
XLogP16.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
4-N'-(9,9-dimethylfluoren-4-yl)-4-N',5-N,5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775025
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
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-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
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613

Frequently Asked Questions

What is the IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine?
The IUPAC name of 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine (CID 168775186) is 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine.
What is the SMILES notation for 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine?
The canonical SMILES for 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)C3(c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3ccccc3-4)cc21.
What is the InChIKey of 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine?
The InChIKey is CZYXTLYNTGNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)54-31-17-14-26-46(54)49-36-35-45(38-57(49)61)64(43-24-10-5-11-25-43)59-40-53-48-28-16-19-33-56(48)62(60(53)52-30-13-12-29-51(52)59)55-32-18-15-27-47(55)50-37-34-44(39-58(50)62)63(41-20-6-3-7-21-41)42-22-8-4-9-23-42/h3-40H,1-2H3.
What are the key properties of 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine?
5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine has a molecular weight of 817.05 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',5-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',5-diamine is sourced from PubChem (CID 168775186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).