9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine

C70H69N — CID 145412908

IUPAC9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
SMILESC=C/C=C1C(=C/Nc2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2ccccc2-3)\C(/C(=C/C=C)CCC)(c2ccccc2)c2ccccc2\1.CC.CC.CC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H43N.C15H14.2C2H6/c1-4-18-35(19-5-2)50(36-21-8-7-9-22-36)44-27-14-10-23-39(44)38(20-6-3)49(50)34-52-37-31-32-43-42-26-13-17-30-47(42)51(48(43)33-37)45-28-15-11-24-40(45)41-25-12-16-29-46(41)51;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h4,6-11,13-18,20-24,26-34,52H,1,3,5,12,19,25H2,2H3;3-10H,1-2H3;2*1-2H3/b35-18+,38-20-,49-34+;;;
InChIKeyNSWKHIFWXQVDOB-ZYDRMNKNSA-N
MW924.33 g/mol
LogP18.94
Rot. Bonds8

About 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine

9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine (PubChem CID 145412908) has the molecular formula C70H69N and a molecular weight of 924.33 g/mol. Its IUPAC name is 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
PubChem CID145412908
Molecular FormulaC70H69N
Molecular Weight924.33 g/mol
Exact Mass923.54
IUPAC Name9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
SMILESC=C/C=C1C(=C/Nc2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2ccccc2-3)\C(/C(=C/C=C)CCC)(c2ccccc2)c2ccccc2\1.CC.CC.CC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H43N.C15H14.2C2H6/c1-4-18-35(19-5-2)50(36-21-8-7-9-22-36)44-27-14-10-23-39(44)38(20-6-3)49(50)34-52-37-31-32-43-42-26-13-17-30-47(42)51(48(43)33-37)45-28-15-11-24-40(45)41-25-12-16-29-46(41)51;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h4,6-11,13-18,20-24,26-34,52H,1,3,5,12,19,25H2,2H3;3-10H,1-2H3;2*1-2H3/b35-18+,38-20-,49-34+;;;
InChIKeyNSWKHIFWXQVDOB-ZYDRMNKNSA-N
XLogP18.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.33
LogP ≤ 518.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine with MolForge

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Related Compounds

9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
CID 145362304
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene
CID 142424728

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The IUPAC name of 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine (CID 145412908) is 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The canonical SMILES for 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine is C=C/C=C1C(=C/Nc2ccc3c(c2)C2(C4=C(CCC=C4)c4ccccc42)c2ccccc2-3)\C(/C(=C/C=C)CCC)(c2ccccc2)c2ccccc2\1.CC.CC.CC1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
The InChIKey is NSWKHIFWXQVDOB-ZYDRMNKNSA-N. The full InChI is InChI=1S/C51H43N.C15H14.2C2H6/c1-4-18-35(19-5-2)50(36-21-8-7-9-22-36)44-27-14-10-23-39(44)38(20-6-3)49(50)34-52-37-31-32-43-42-26-13-17-30-47(42)51(48(43)33-37)45-28-15-11-24-40(45)41-25-12-16-29-46(41)51;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h4,6-11,13-18,20-24,26-34,52H,1,3,5,12,19,25H2,2H3;3-10H,1-2H3;2*1-2H3/b35-18+,38-20-,49-34+;;;.
What are the key properties of 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine?
9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine has a molecular weight of 924.33 g/mol, XLogP of 18.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;ethane;N-[(E)-[(3Z)-1-[(3E)-hepta-1,3-dien-4-yl]-1-phenyl-3-prop-2-enylideneinden-2-ylidene]methyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 145412908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).