dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine

C50H35Cl2N3 — CID 139194399

IUPACdichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cccnc2-c2ncccc21.ClCCl
InChIInChI=1S/C49H33N3.CH2Cl2/c1-5-15-35(16-6-1)42(36-17-7-2-8-18-36)31-34-25-27-40-41-28-26-39(52(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-46(41)49(45(40)32-34)43-23-13-29-50-47(43)48-44(49)24-14-30-51-48;2-1-3/h1-33H;1H2
InChIKeyIHURESLLCROBEN-UHFFFAOYSA-N
MW748.76 g/mol
LogP13.30
Rot. Bonds6

About dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine

dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine (PubChem CID 139194399) has the molecular formula C50H35Cl2N3 and a molecular weight of 748.76 g/mol. Its IUPAC name is dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine.

Molecular Properties

Compound Namedichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine
PubChem CID139194399
Molecular FormulaC50H35Cl2N3
Molecular Weight748.76 g/mol
Exact Mass747.22
IUPAC Namedichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cccnc2-c2ncccc21.ClCCl
InChIInChI=1S/C49H33N3.CH2Cl2/c1-5-15-35(16-6-1)42(36-17-7-2-8-18-36)31-34-25-27-40-41-28-26-39(52(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-46(41)49(45(40)32-34)43-23-13-29-50-47(43)48-44(49)24-14-30-51-48;2-1-3/h1-33H;1H2
InChIKeyIHURESLLCROBEN-UHFFFAOYSA-N
XLogP13.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.76
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine with MolForge

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Related Compounds

7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
CID 101484865
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 161131230
N-(4-tert-butylphenyl)-7-[(E)-2-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-N-[4-(trifluoromethyl)phenyl]spiro[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 162601185
2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58240106
9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
2-[[7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-yl]methylidene]propanedinitrile
CID 102209369
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
CID 163547674

Frequently Asked Questions

What is the IUPAC name of dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine?
The IUPAC name of dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine (CID 139194399) is dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine.
What is the SMILES notation for dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine?
The canonical SMILES for dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine is C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cccnc2-c2ncccc21.ClCCl.
What is the InChIKey of dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine?
The InChIKey is IHURESLLCROBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.CH2Cl2/c1-5-15-35(16-6-1)42(36-17-7-2-8-18-36)31-34-25-27-40-41-28-26-39(52(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-46(41)49(45(40)32-34)43-23-13-29-50-47(43)48-44(49)24-14-30-51-48;2-1-3/h1-33H;1H2.
What are the key properties of dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine?
dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine has a molecular weight of 748.76 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine is sourced from PubChem (CID 139194399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).