7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine

C49H35N3 — CID 101484865

IUPAC7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(c1ccccn1)(c1ccccn1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C49H35N3/c1-5-17-37(18-6-1)44(38-19-7-2-8-20-38)33-36-27-29-42-43-30-28-41(52(39-21-9-3-10-22-39)40-23-11-4-12-24-40)35-46(43)49(45(42)34-36,47-25-13-15-31-50-47)48-26-14-16-32-51-48/h1-35H
InChIKeyKSTLBPGCTOMYIH-UHFFFAOYSA-N
MW665.84 g/mol
LogP11.90
Rot. Bonds8

About 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine

7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine (PubChem CID 101484865) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine.

Molecular Properties

Compound Name7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
PubChem CID101484865
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(c1ccccn1)(c1ccccn1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C49H35N3/c1-5-17-37(18-6-1)44(38-19-7-2-8-20-38)33-36-27-29-42-43-30-28-41(52(39-21-9-3-10-22-39)40-23-11-4-12-24-40)35-46(43)49(45(42)34-36,47-25-13-15-31-50-47)48-26-14-16-32-51-48/h1-35H
InChIKeyKSTLBPGCTOMYIH-UHFFFAOYSA-N
XLogP11.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
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
iridium;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793250
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
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine?
The IUPAC name of 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine (CID 101484865) is 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine.
What is the SMILES notation for 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine?
The canonical SMILES for 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine is C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(c1ccccn1)(c1ccccn1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine?
The InChIKey is KSTLBPGCTOMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-5-17-37(18-6-1)44(38-19-7-2-8-20-38)33-36-27-29-42-43-30-28-41(52(39-21-9-3-10-22-39)40-23-11-4-12-24-40)35-46(43)49(45(42)34-36,47-25-13-15-31-50-47)48-26-14-16-32-51-48/h1-35H.
What are the key properties of 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine?
7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine has a molecular weight of 665.84 g/mol, XLogP of 11.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine is sourced from PubChem (CID 101484865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).